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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.47 |
| ▸ | CHRNA3 known ✓ | P32297 | 5/20 | 0.41 |
| ▸ | CHRNB4 known ✓ | P30926 | 4/20 | 0.41 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 10/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.47 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7221390 | 0.99 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| Hydrochloric Acid SCHEMBL5382186 | 0.81 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL7225743 | 0.80 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL7042274 | 0.75 | CHRNB2 (0.52) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| Hydrochloric Acid SCHEMBL5382193 | 0.74 | CHRNB2 (0.54) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| Octane SCHEMBL6697448 | 0.74 | CHRNB2 (0.45) | CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL5389893 | 0.72 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL5373771 | 0.72 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL9430901 | 0.70 | CHRNB2 (0.49) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 | |
| SCHEMBL7042417 | 0.70 | CHRNB2 (0.44) | CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070185086-A1 | Pharmaceutical Compositions and Methods for Effecting Dopamine Release | BENCHERIF MEROUANE | 2007-08-09 | — | — | US | disclosed |
| US-7214686-B2 | Pharmaceutical compositions and methods for effecting dopamine release | TARGACEPT, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| WO-2004108668-A2 | ALPHA-7 NEURONAL NICOTINIC RECEPTOR LIGANDS: COMPOSITIONS AND METHODS OF USE | TARGACEPT, INC. (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040220214-A1 | Pharmaceutical compositions and methods for effecting dopamine release | TARGACEPT, INC. | 2004-11-04 | — | — | US | disclosed |
| EP-0994875-B1 | 3-PYRIDYL-1-AZABICYCLOALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | TARGACEPT INC (US) | 2004-03-10 | — | — | EP | disclosed |
| US-6624173-B1 | Characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia) treated by | TARGACEPT, INC. | 2003-09-23 | — | — | US | disclosed |
| US-6525065-B1 | Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane | TARGACEPT, INC. | 2003-02-25 | — | — | US | disclosed |
| EP-0994875-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999000385-A1 | 3-PYRIDYL-1-AZA-BICYCLO-ALKANE DERIVATIVES FOR PREVENTION AND TREATMENT OF CNS DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-01-07 | — | — | 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 (2 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-20040220214-A1 | Pharmaceutical compositions and methods for effecting dopamine release | COMT, SLC6A3, PARK7 | CHRNA7 27/4885CHRNA3 36/4885CHRNB4 66/4885 |
| US-20070185086-A1 | Pharmaceutical Compositions and Methods for Effecting Dopamine Release | COMT, SLC6A3, HTR2A | CHRNA7 38/4885CHRNA3 42/4885CHRNB4 81/4885 |
“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.