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 | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 1/20 | 0.50 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.43 |
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | AOC2 | O75106 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL43401 | 0.98 | CYP19A1 (0.52) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| Ammonia Solution, Strong SCHEMBL28260172 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| SCHEMBL27980699 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| Bromide SCHEMBL10492602 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| SCHEMBL28108373 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| SCHEMBL28226305 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| Water SCHEMBL27902318 | 0.96 | CYP19A1 (0.50) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| Sulfuric Acid SCHEMBL11051925 | 0.90 | CYP19A1 (0.46) | CYP19A1PRSS1PRSS2PRSS3ELANE | |
| SCHEMBL29070669 | 0.90 | PARP10 (0.53) | CYP19A1ELANEMAOAADRA2C | |
| SCHEMBL10456820 | 0.88 | CYP19A1 (0.45) | CYP19A1PRSS1PRSS2PRSS3ELANE |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101723826-B | Preparation method of trans-D-chrysanthemic acid | SHENYANG XINYUANQUAN CHEMICAL CO LTD | 2014-02-05 | — | — | CN | claimed |
| CN-104256295-B | The vegetarian diet powder and preparation method thereof of plant phenols glycinate phytic acid salt composite stability maintenance | 宁波御坊堂生物科技有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-104744434-A | ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER | CELGENE CORP | 2015-07-01 | — | — | CN | disclosed |
| CN-102264720-B | Isoindoline compounds for the treatment of cancer | CELGENE CORP | 2015-03-25 | — | — | CN | disclosed |
| CN-104256295-A | Vegetarian powder capable of keeping stability by utilizing plant phenolic glycine ester phytate composition and preparation method thereof | NINGBO YUFANGTANG BIOTECHNOLOGY CO LTD | 2015-01-07 | — | — | CN | disclosed |
| CN-101723826-B | Preparation method of trans-D-chrysanthemic acid | SHENYANG XINYUANQUAN CHEMICAL CO LTD | 2014-02-05 | — | — | CN | disclosed |
| CN-103459399-A | Tetracyclic indole derivatives for the treatment of hepatitis C virus infection | MERCK SHARP & DOHME | 2013-12-18 | — | — | CN | disclosed |
| CN-102264720-A | Isoindoline compounds for the treatment of cancer | — | 2011-11-30 | — | — | CN | disclosed |
| US-4883917-A | Quaternary ammonium compounds | ETHYL CORPORATION (US) | 1989-11-28 | — | — | US | disclosed |
| US-4874785-A | BACTERICIDES | ETHYL CORPORATION (US) | 1989-10-17 | — | — | US | disclosed |
| US-4874789-A | BACTERICIDES | ETHYL CORPORATION (US) | 1989-10-17 | — | — | US | disclosed |
| US-4874784-A | BACTERICIDES | ETHYL CORPORATION (US) | 1989-10-17 | — | — | US | disclosed |
| US-4761416-A | ENZYME INHIBITORS, INOTROPIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1988-08-02 | — | — | US | disclosed |
| US-4739056-A | ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1988-04-19 | — | — | US | disclosed |
| EP-0254327-A2 | N-N-disubstituted-omega-(2-amino-3-(carbonylmethyl)-3,4-dihydroquinazolinyl) oxyalkylamides and related compounds | SYNTEX (U.S.A.) INC. (US) | 1988-01-27 | — | — | EP | disclosed |
| US-4332958-A | Benzylidene glycine ester derivatives | ZOECON CORPORATION (US) | 1982-06-01 | — | — | US | disclosed |
| US-4298760-A | Process for preparing 1-aminocyclopropane-1-carboxylic acid | ZOECON CORPORATION (US) | 1981-11-03 | — | — | US | disclosed |