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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.51 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.51 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.51 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.51 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.96 |
| ▸ | ATM | Q13315 | 1/20 | 0.96 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.69 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.65 |
| ▸ | PIM1 | P11309 | 2/20 | 0.59 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.56 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.54 |
| ▸ | WNT3A | P56704 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
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 SCHEMBL28283888 | 1.00 | ALDH1A1 (0.96) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| Hydrochloric Acid SCHEMBL29715885 | 1.00 | ALDH1A1 (0.96) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| Hydrochloric Acid SCHEMBL28283733 | 1.00 | ALDH1A1 (0.96) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| SCHEMBL27785298 | 0.98 | ALDH1A1 (1.00) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| SCHEMBL117198 | 0.98 | ALDH1A1 (1.00) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| SCHEMBL29544426 | 0.98 | ALDH1A1 (1.00) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| SCHEMBL27721352 | 0.94 | ALDH1A1 (0.93) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| Acetic Acid SCHEMBL30661849 | 0.91 | ALDH1A1 (0.86) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| Trifluoroacetic Acid SCHEMBL28105351 | 0.87 | ALDH1A1 (0.78) | ALDH1A1ATMGPR84PBRM1PIM1 | |
| SCHEMBL29450818 | 0.85 | ALDH1A1 (0.77) | ALDH1A1ATMGPR84PBRM1PIM1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3347349-A1 | FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Suven Life Sciences Limited (IN) | 2018-07-18 | — | — | EP | claimed |
| CN-108026073-A | Fluoroindole derivatives as muscarinic M 1 receptor forward direction allosteric modulators | 苏文生命科学有限公司 | 2018-05-11 | — | — | CN | claimed |
| WO-2017042643-A1 | FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | SUVEN LIFE SCIENCES LIMITED (IN) | 2017-03-16 | — | — | WO | claimed |
| EP-1210328-A1 | FUSED PYRROLECARBOXAMIDES: A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-06-05 | — | — | EP | claimed |
| WO-2001016103-A1 | FUSED PYRROLECARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2001-03-08 | — | — | WO | claimed |
| EP-3802489-A2 | MASP-2 INHIBITORS AND METHODS OF USE | Omeros Corporation (US) | 2021-04-14 | — | — | EP | disclosed |
| CN-105408321-B | Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them | 法国施维雅药厂 | 2019-03-08 | — | — | CN | disclosed |
| CN-108026073-A | Fluoroindole derivatives as muscarinic M 1 receptor forward direction allosteric modulators | 苏文生命科学有限公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-104254330-A | Tryptoline derivatives having kinase inhibitory activity and uses thereof | X RX INC | 2014-12-31 | — | — | CN | disclosed |
| EP-2691394-A1 | COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME | SJT Molecular Research, S.L. (ES) | 2014-02-05 | — | — | EP | disclosed |
| WO-2012130912-A1 | COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME | SJT MOLECULAR RESEARCH, S.L. (ES) | 2012-10-04 | — | — | WO | disclosed |
| CN-1616425-A | Noval benzoindoline compounds,their preparing method and pharmaceutical composition containing them | SERVIER LAB (FR) | 2005-05-18 | — | — | CN | disclosed |
| CN-1446813-A | Novel dihydric indole compound, their prepn. process and medicinal compsns. contg.them | SEVOIERE LAB (FR) | 2003-10-08 | — | — | CN | disclosed |