Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 6/20 | 0.57 |
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.47 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.46 |
| ▸ | GABRG2 known ✓ | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 known ✓ | P28472 | 2/20 | 0.40 |
| ▸ | GABRA3 known ✓ | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 known ✓ | P47869 | 2/20 | 0.40 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.40 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CFTR | P13569 | 3/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1129609 | 0.98 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL5534654 | 0.86 | KDM4E (0.53) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL22749397 | 0.85 | ALDH1A1 (0.62) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL8762164 | 0.82 | CA12 (0.47) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL1323656 | 0.81 | KMT2A (0.58) | ALDH1A1KDM4EHPGDMAPTGLA | |
| Hydrochloric Acid SCHEMBL3016561 | 0.81 | KMT2A (0.58) | ALDH1A1KDM4EHPGDMAPTGLA | |
| SCHEMBL30966775 | 0.81 | KDM4E (0.47) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL18015088 | 0.81 | KDM4E (0.47) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL21775704 | 0.79 | CA12 (0.62) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL297278 | 0.79 | KDM4E (0.57) | ALDH1A1KDM4EHPGDMAPTALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2803667-A1 | Phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2014-11-19 | — | — | EP | disclosed |
| CN-101589028-B | Process for production of phenylalanine derivatives having quinazolinedione skeletons and intermediates for the production | AJINOMOTO KK | 2014-02-19 | — | — | CN | disclosed |
| US-8546610-B2 | Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of the derivatives | AJINOMOTO CO., INC. (JP) | 2013-10-01 | — | — | US | disclosed |
| EP-2615087-A2 | Phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2013-07-17 | — | — | EP | disclosed |
| US-8309561-B2 | N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation | AJINOMOTO CO., INC. (JP) | 2012-11-13 | — | — | US | disclosed |
| EP-2103601-B1 | PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION | AJINOMOTO KK (JP) | 2012-03-14 | — | — | EP | disclosed |
| US-20110313154-A1 | METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES | AJINOMOTO CO., INC. (JP) | 2011-12-22 | — | — | US | disclosed |
| US-8058432-B2 | Method for preparing phenylalanine derivatives having quinazoline-dione skeleton and intermediates for use in the preparation of derivatives | AJINOMOTO CO., INC. (JP) | 2011-11-15 | — | — | US | disclosed |
| CN-101386600-B | Process for producing phenylalanine derivative having quinazolinedione skeleton and intermediate for the same | AJINOMOTO KK | 2011-07-06 | — | — | CN | disclosed |
| US-20090318688-A1 | METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES | AJINOMOTO CO., INC. (JP) | 2009-12-24 | — | — | US | disclosed |
| CN-101589028-A | Process for production of phenylalanine derivatives having quinazolinedione skeletons and intermediates for the production | AJINOMOTO KK (JP) | 2009-11-25 | — | — | CN | disclosed |
| EP-2103601-A1 | PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION | Ajinomoto Co., Inc. (JP) | 2009-09-23 | — | — | EP | disclosed |
| CN-101386600-A | Process for producing phenylalanine derivative having quinazolinedione skeleton and intermediate for the same | AJINOMOTO KK (JP) | 2009-03-18 | — | — | CN | disclosed |
| CN-100436429-C | Method for producing phenylalanine derivative having quinazolinedione skeleton, and production intermediate | AJINOMOTO KK (JP) | 2008-11-26 | — | — | CN | disclosed |
| US-20080108634-A1 | NOVEL PHENYLALANINE DERIVATIVES | AJINOMOTO CO., INC. (JP) | 2008-05-08 | — | — | US | disclosed |
| US-7345049-B2 | Phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2008-03-18 | — | — | US | disclosed |
| EP-1700850-A1 | NOVEL PHENYLALANINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2006-09-13 | — | — | EP | disclosed |
| CN-1777591-A | Method for producing phenylalanine derivative having quinazolinedione skeleton, and production intermediate | AJINOMOTO KK (JP) | 2006-05-24 | — | — | CN | disclosed |
| US-20050222141-A1 | Novel phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2005-10-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080108634-A1 | NOVEL PHENYLALANINE DERIVATIVES | ITGB4, ITGA4, ITGAV | GAA 824/4885GLA 3492/4885ABL1 544/4885 |
| US-20050222141-A1 | Novel phenylalanine derivatives | ITGB4, ITGA4, ITGAV | GAA 824/4885GLA 3492/4885ABL1 544/4885 |
| US-20090318688-A1 | METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES | PAH, DDC, AADAT | GAA 1002/4885GLA 2168/4885ABL1 25/4885 |
| US-20110313154-A1 | METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF THE DERIVATIVES | PAH, DDC, ASNS | GAA 1034/4885GLA 2286/4885ABL1 27/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.