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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.52 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.52 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2763515 | 0.95 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL2377939 | 0.95 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL288273 | 0.95 | CACNA2D1 (0.56) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL10977884 | 0.93 | CACNA2D1 (0.54) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Hydrochloric Acid SCHEMBL10977886 | 0.93 | CACNA2D1 (0.54) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| Acetic Acid SCHEMBL2595033 | 0.83 | SLC22A6 (0.43) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL13589516 | 0.81 | ALDH1A1 (0.55) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL60920 | 0.81 | GABRP (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL397004 | 0.81 | GABRP (0.46) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL15274767 | 0.81 | ALDH1A1 (0.55) | CACNA2D1CACNB3CACNA1CPGRADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2100875-B1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO PERFUMERY CO LTD (JP) | 2016-11-16 | — | — | EP | disclosed |
| EP-1685092-B1 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | TAKASAGO PERFUMERY CO LTD (JP) | 2010-01-13 | — | — | EP | disclosed |
| US-7626034-B2 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-12-01 | — | — | US | disclosed |
| EP-2100875-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | Takasago International Corporation (JP) | 2009-09-16 | — | — | EP | disclosed |
| US-20070142443-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2007-06-21 | — | — | US | disclosed |
| EP-1685092-A2 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | Takasago International Corporation (JP) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005028419-A2 | ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2005-03-31 | — | — | 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 (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-20070142443-A1 | Asymmetric reductive amination of keto acid derivatives for producing amino acid derivatives | AADAT, BCAT2, BCAT1 | CACNA2D1 3236/4885CACNB3 3472/4885CACNA1C 3315/4885 |
“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.