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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.43 |
| ▸ | KCNA5 known ✓ | P22460 | 1/20 | 0.41 |
| ▸ | S1PR2 known ✓ | O95136 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 SCHEMBL6473931 | 0.87 | LMNA (0.41) | ALDH1A1MAPTKMT2AMPOGAA | |
| Hydrochloric Acid SCHEMBL6480880 | 0.85 | MAPT (0.45) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL6475986 | 0.84 | KDM4E (0.47) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6482029 | 0.82 | SMN1; SMN2 (0.57) | ALDH1A1MAPTMEN1KMT2AMPO | |
| SCHEMBL6474856 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL3244235 | 0.80 | HPGD (0.46) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL6482359 | 0.79 | KCNJ6 (0.45) | MAPTMPOGAATP53LMNA | |
| SCHEMBL6481126 | 0.79 | NOD1 (0.40) | ALDH1A1MAPTMEN1KMT2AMPO | |
| Hydrochloric Acid SCHEMBL6482345 | 0.79 | KMT2A (0.43) | MAPTMEN1KMT2ATP53THRB | |
| SCHEMBL6483082 | 0.77 | KMT2A (0.44) | MAPTMEN1KMT2ATP53THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-6903090-B2 | Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal | PFIZER (US) | 2005-06-07 | — | — | US | disclosed |
| US-6828314-B2 | Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity | PFIZER | 2004-12-07 | — | — | US | disclosed |
| US-20030225058-A1 | Substituted azepino[4,5b]indoline derivatives | PHARMACIA & UPJOHN COMPANY | 2003-12-04 | — | — | US | disclosed |
| US-20030220321-A1 | Substituted azepino[4,5b]indole derivatives | PHARMACIA & UPJOHN COMPANY | 2003-11-27 | — | — | US | disclosed |
| US-6586421-B2 | For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders | PHARMACIA & UPJOHN COMPANY | 2003-07-01 | — | — | US | disclosed |
| US-6583135-B2 | Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). | PHARMACIA & UPJOHN COMPANY | 2003-06-24 | — | — | US | disclosed |
| EP-1319005-A2 | SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2003-06-18 | — | — | EP | disclosed |
| EP-1319004-A2 | SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2003-06-18 | — | — | EP | disclosed |
| US-20020107278-A1 | Substituted azepino[4,5b]indole derivatives | PHARMACIA & UPJOHN COMPANY | 2002-08-08 | — | — | US | disclosed |
| US-20020077318-A1 | Substituted azepino[4,5b] indoline derivatives | PHARMACIA & UPJOHN COMPANY | 2002-06-20 | — | — | US | disclosed |
| WO-2002024701-A2 | SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2002-03-28 | — | — | WO | disclosed |
| WO-2002024700-A2 | SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES | PHARMACIA & UPJOHN COMPANY (US) | 2002-03-28 | — | — | 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 (4 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-20020107278-A1 | Substituted azepino[4,5b]indole derivatives | HTR5A, HTR1A, HTR1E | GAA 3550/4885KCNA5 497/4885S1PR2 325/4885 |
| US-20030225058-A1 | Substituted azepino[4,5b]indoline derivatives | HTR5A, HTR1A, HTR4 | GAA 3357/4885KCNA5 438/4885S1PR2 373/4885 |
| US-20030220321-A1 | Substituted azepino[4,5b]indole derivatives | HTR5A, HTR1A, HTR1E | GAA 3550/4885KCNA5 497/4885S1PR2 325/4885 |
| US-20020077318-A1 | Substituted azepino[4,5b] indoline derivatives | HTR5A, HTR1A, HTR4 | GAA 3357/4885KCNA5 438/4885S1PR2 373/4885 |
“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.