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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.54 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.54 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.54 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.54 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.54 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.54 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.54 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.54 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.54 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.54 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.54 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.54 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.54 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.54 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12854656 | 0.99 | FAAH (0.55) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL2862536 | 0.83 | FAAH (0.54) | MEN1LMNAMAPTPMP22KMT2A | |
| Hydrochloric Acid SCHEMBL2867728 | 0.82 | SETD7 (0.55) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL6804429 | 0.81 | SMN1; SMN2 (0.56) | MEN1LMNAMAPTPMP22KMT2A | |
| Hydrochloric Acid SCHEMBL2864328 | 0.80 | KMT2A (0.47) | MEN1LMNAMAPTPMP22KMT2A | |
| Hydrochloric Acid SCHEMBL2864381 | 0.80 | KMT2A (0.49) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL2866884 | 0.79 | FAAH (0.50) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL7212343 | 0.78 | FNTA (0.56) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL9034660 | 0.78 | SETD7 (0.64) | MEN1LMNAMAPTPMP22KMT2A | |
| SCHEMBL12854661 | 0.78 | SETD7 (0.48) | MEN1LMNAMAPTPMP22KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8278329-B2 | Antagonizing N-type calcium channels; use as analgesic, neurodegenerative diseases, brain injury, bronchial asthma, unstable angina and irritable colitis, drug withdrawal symptoms; t-butyl 2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-piperidinyl]-2-oxoethylcarbamate for example | AJINOMOTO CO., INC. (JP) | 2012-10-02 | — | — | US | disclosed |
| US-7713957-B2 | Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist | AJINOMOTO CO., INC. (JP) | 2010-05-11 | — | — | US | disclosed |
| US-7462630-B2 | Diarylalkene derivatives and novel diarylalkane derivatives | AJINOMOTO CO., INC. (JP) | 2008-12-09 | — | — | US | disclosed |
| US-20080058311-A1 | NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES | AJINOMOTO CO., INC. (JP) | 2008-03-06 | — | — | US | disclosed |
| US-20050009814-A1 | Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist | AJINOMOTO CO., INC. (JP) | 2005-01-13 | — | — | US | disclosed |
| EP-1481673-A1 | MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST | Ajinomoto Co., Inc. (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-20040167118-A1 | Novel diarylalkene derivatives and novel diarylalkane derivatives | AJINOMOTO CO., INC. (JP) | 2004-08-26 | — | — | US | 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 (3 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-20050009814-A1 | Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist | CACNA1B, CACNA1G, CACNA1C | CHRM2 1356/4885CHRM4 1189/4885HTR1A 1771/4885 |
| US-20040167118-A1 | Novel diarylalkene derivatives and novel diarylalkane derivatives | CACNA1E, CACNA1H, CACNA1D | CHRM2 539/4885CHRM4 384/4885HTR1A 431/4885 |
| US-20080058311-A1 | NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES | CACNA1E, CACNA1D, CACNA1H | CHRM2 385/4885CHRM4 321/4885HTR1A 435/4885 |
“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.