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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.50 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.46 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.43 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.42 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.41 |
| ▸ | PRKCI known ✓ | P41743 | 1/20 | 0.39 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL784685 | 0.98 | CHKA (0.57) | CHKAADRB2NCF1PLD1ROCK2 | |
| Hydrochloric Acid SCHEMBL1060872 | 0.98 | CHKA (0.57) | CHKAADRB2NCF1PLD1ROCK2 | |
| SCHEMBL223203 | 0.96 | CHKA (0.59) | CHKAADRB2NCF1PLD1ROCK2 | |
| SCHEMBL14275562 | 0.85 | CHKA (0.50) | CHKAADRB2NCF1PLD1ROCK2 | |
| Trifluoroacetic Acid SCHEMBL1456945 | 0.81 | DPP4 (0.59) | CHKAHRH3DPP4DPP8DPP9 | |
| Hydrochloric Acid SCHEMBL8879338 | 0.78 | CHKA (0.57) | CHKAADRB2NCF1PLD1HRH3 | |
| Hydrochloric Acid SCHEMBL785566 | 0.78 | CHKA (0.52) | CHKAADRB2NCF1PLD1ROCK2 | |
| Hydrochloric Acid SCHEMBL16684779 | 0.78 | HRH3 (0.42) | CHKAROCK2ROCK1HRH3TSHR | |
| Hydrochloric Acid SCHEMBL17927700 | 0.78 | MBTD1 (0.55) | DPP4TSHRCYP1A2CYP2D6HTR3E | |
| SCHEMBL4711666 | 0.78 | CHKA (0.61) | CHKAADRB2NCF1PLD1HRH3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691959-B1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LTD (GB) | 1998-07-22 | — | — | EP | disclosed |
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| EP-0825184-A1 | Heterocyclic derivatives as platelet aggregation inhibitors | ZENECA LIMITED (GB) | 1998-02-25 | — | — | EP | disclosed |
| US-5652242-A | 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN | ZENECA LIMITED (GB) | 1997-07-29 | — | — | US | disclosed |
| US-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| US-5556977-A | ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES | ZENECA LIMITED (GB) | 1996-09-17 | — | — | US | disclosed |
| EP-0691959-A1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-17 | — | — | EP | disclosed |
| EP-0690847-A1 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994022835-A2 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |
| WO-1994022834-A1 | HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |