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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
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 SCHEMBL7902491 | 1.00 | MAPT (0.43) | MAPTPOLBMAPK1IDO1TDO2 | |
| SCHEMBL7403590 | 0.99 | MAPT (0.44) | MAPTPOLBMAPK1IDO1TDO2 | |
| SCHEMBL5720988 | 0.99 | MAPT (0.44) | MAPTPOLBMAPK1IDO1TDO2 | |
| SCHEMBL28368856 | 0.91 | TRPM8 (0.46) | MAPTPOLBMAPK1F10F2 | |
| SCHEMBL30541529 | 0.91 | TRPM8 (0.46) | MAPTPOLBMAPK1F10F2 | |
| SCHEMBL5720942 | 0.88 | POLB (0.45) | MAPTPOLBMAPK1KMT2ATRPM8 | |
| SCHEMBL5720795 | 0.88 | POLB (0.45) | MAPTPOLBMAPK1KMT2ATRPM8 | |
| Hydrochloric Acid SCHEMBL6339453 | 0.86 | HDAC4 (0.45) | MAPTPOLBMAPK1IDO1TDO2 | |
| SCHEMBL5720866 | 0.85 | POLB (0.41) | MAPTPOLBMAPK1LMNAMEN1 | |
| SCHEMBL13120955 | 0.84 | F10 (0.42) | F10F2PRSS1KMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1880319-B | Tropane derivatives as CCR5 modulators | PFIZER | 2010-06-09 | — | — | CN | disclosed |
| CN-1324025-C | Tropane derivatives as modulators of CCR5 | PFIZER (US) | 2007-07-04 | — | — | CN | disclosed |
| CN-1880319-A | Tropane derivatives as CCR5 modulators | AGOURON PHARMA (US) | 2006-12-20 | — | — | CN | disclosed |
| CN-1646526-A | Tropane derivatives as modulators of CCR5 | PFIZER (US) | 2005-07-27 | — | — | CN | disclosed |
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0866705-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-03-03 | — | — | EP | disclosed |
| US-5852045-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0866705-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0810994-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5719162-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5719144-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0810994-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1997-12-10 | — | — | EP | disclosed |
| US-5665723-A | PIPERAZINE ISOINDOLE DERIVATIVES | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1997014417-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| WO-1996026187-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-08-29 | — | — | WO | disclosed |