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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.62 |
| ▸ | EGFR known ✓ | P00533 | 12/20 | 0.54 |
| ▸ | ERBB2 known ✓ | P04626 | 11/20 | 0.54 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.60 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | AGXT | P21549 | 1/20 | 0.51 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29388015 | 0.99 | MAOB (0.61) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL29514868 | 0.99 | MAOB (0.61) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL156718 | 0.99 | MAOB (0.61) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL12727544 | 0.84 | MAOB (0.48) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL6827590 | 0.84 | MRGPRX4 (0.64) | MAOBMRGPRX4IDO1AGXT | |
| SCHEMBL3321494 | 0.84 | MAOB (0.65) | MAOBMRGPRX4IDO1AGXT | |
| SCHEMBL22874527 | 0.82 | EGFR (0.55) | MRGPRX4EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL20535609 | 0.82 | MAOB (0.55) | MAOBMRGPRX4EGFRERBB2IDO1 | |
| SCHEMBL25648997 | 0.82 | EGFR (0.55) | MAOBMRGPRX4EGFRERBB2ERBB3 | |
| SCHEMBL31193398 | 0.82 | MAOB (0.56) | MAOBMRGPRX4IDO1AGXT |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101367794-B | Preparation method for quinazoline derivants and medical uses thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-07-10 | — | — | CN | disclosed |
| CN-101735200-B | Quinazoline compound | CEN JUNDA | 2013-01-02 | — | — | CN | disclosed |
| CN-102272126-B | Optical pure quinazoline compounds | JUNDA CEN | 2012-11-21 | — | — | CN | disclosed |
| CN-102344445-A | Optical voidness quinazoline compound | JUNDA CEN | 2012-02-08 | — | — | CN | disclosed |
| CN-102344444-A | Optically pure quinazoline compounds | JUNDA CEN | 2012-02-08 | — | — | CN | disclosed |
| US-8088766-B2 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2390251-A1 | OPTICAL PURE QUINAZOLINE COMPOUNDS | Cen, Junda (CN) | 2011-11-30 | — | — | EP | disclosed |
| US-20110281896-A1 | OPTICALLY PURE QUINAZOLINE COMPOUNDS | Jiangsu Hansoh Pharmaceutical Co. Ltd | 2011-11-17 | — | — | US | disclosed |
| US-20110258564-A1 | METHOD FOR AUTOMATICALLY RELOCATING AND DISPLAYING MULTIPLE FILES | QUANTA COMPUTER INC. (TW) | 2011-10-20 | — | — | US | disclosed |
| CN-101787017-A | Optical pure quinazoline compound | JUNDA CEN | 2010-07-28 | — | — | CN | disclosed |
| CN-101735200-A | Quinazoline compound | JUNDA CEN | 2010-06-16 | — | — | CN | disclosed |
| CN-101367794-A | Preparation method for quinazoline derivants and medical uses thereof | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2009-02-18 | — | — | CN | disclosed |
| US-7488823-B2 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA, INC. (US) | 2009-02-10 | — | — | US | disclosed |
| US-20090012290-A1 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA, INC. (US) | 2009-01-08 | — | — | US | disclosed |
| EP-1567506-A4 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA INC (US) | 2007-06-20 | — | — | EP | disclosed |
| EP-1567506-A2 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | Array Biopharma, Inc. (US) | 2005-08-31 | — | — | EP | disclosed |
| US-20050101617-A1 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ARRAY BIOPHARMA, INC. | 2005-05-12 | — | — | US | disclosed |
| WO-2004046101-A2 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ARRAY BIOPHARMA, INC. (US) | 2004-06-03 | — | — | WO | 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 (3 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-20110281896-A1 | OPTICALLY PURE QUINAZOLINE COMPOUNDS | CHRM1, CYP3A7, NQO2 | MAOB 312/4885EGFR 3462/4885ERBB2 3348/4885 |
| US-20090012290-A1 | CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS | ERBB2, GRB2, EGFR | MAOB 3837/4885EGFR 3/4885ERBB2 1/4885 |
| US-20050101617-A1 | Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors | ERBB2, GRB2, EGFR | MAOB 3837/4885EGFR 3/4885ERBB2 1/4885 |
“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.