Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL990742 | 1.00 | MTNR1B (0.54) | MTNR1BBCHEHCRTR1HCRTR2KMT2A | |
| SCHEMBL3346743 | 0.94 | BCHE (0.57) | MTNR1BBCHEKMT2AKDM4EMAPT | |
| SCHEMBL1680336 | 0.94 | BCHE (0.57) | MTNR1BBCHEKMT2AKDM4EMAPT | |
| SCHEMBL990798 | 0.94 | BCHE (0.57) | MTNR1BBCHEKMT2AKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL987382 | 0.93 | BCHE (0.56) | MTNR1BBCHEKMT2AKDM4EMAPT | |
| SCHEMBL12200036 | 0.87 | BCHE (0.47) | MTNR1BBCHEHCRTR1HCRTR2KMT2A | |
| Hydrochloric Acid SCHEMBL3654652 | 0.86 | BCHE (0.47) | MTNR1BBCHEHCRTR1HCRTR2KMT2A | |
| SCHEMBL4026249 | 0.84 | BCHE (0.58) | BCHEKMT2AKDM4EMAPTPKM | |
| SCHEMBL6391182 | 0.84 | ADRB2 (0.53) | BCHEKMT2AKDM4C | |
| SCHEMBL4027169 | 0.82 | BCHE (0.51) | MTNR1BBCHEKMT2AKDM4EKDM4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247560-B2 | Trisubstituted 3,4-dihydro-1H-isoquinolin compound, process for its preparation, and its use | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-21 | — | — | US | disclosed |
| US-20100010226-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-01-14 | — | — | 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 (1 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-20100010226-A1 | TRISUBSTITUTED 3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUND, PROCESS FOR ITS PREPARATION, AND ITS USE | CYP3A7, UGT1A7, CYP51A1 | MTNR1B 4294/4885BCHE 1453/4885HCRTR1 4708/4885 |
“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.