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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.48 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.48 |
| ▸ | RXRA | P19793 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.48 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | F7 | P08709 | 3/20 | 0.45 |
| ▸ | F3 | P13726 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL18339170 | 1.00 | ALDH1A1 (0.48) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL162448 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL162447 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL20839272 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL23327089 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL25271398 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL272699 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| SCHEMBL162446 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP19A1MAPTPPARGOXER1 | |
| Acetic Acid SCHEMBL7185392 | 0.83 | PPARG (0.39) | CYP19A1MAPTPPARGFFAR1PPARA | |
| Cis-3-Hexenol SCHEMBL245795 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP19A1MAPTPPARGOXER1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018145219-A1 | PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING | SERANI MOSTAZAL JORGE (CL) | 2018-08-16 | — | — | WO | claimed |
| EP-3416729-B1 | PRO-FRAGRANCE COMPOSITION | AQDOT LTD (GB) | 2023-09-20 | — | — | EP | disclosed |
| US-10695277-B2 | Pro-fragrance composition | AQDOT LIMITED (GB) | 2020-06-30 | — | — | US | disclosed |
| US-20190046426-A1 | PRO-FRAGRANCE COMPOSITION | AQDOT LIMITED (GB) | 2019-02-14 | — | — | US | disclosed |
| EP-3416729-A1 | PRO-FRAGRANCE COMPOSITION | Aqdot Limited (GB) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017141030-A1 | PRO-FRAGRANCE COMPOSITION | AQDOT LIMITED (GB) | 2017-08-24 | — | — | 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-20190046426-A1 | PRO-FRAGRANCE COMPOSITION | COPS5, COPS8, CBR3 | ALDH1A1 1526/4885CYP19A1 3113/4885MAPT 3966/4885 |
| US-10695277-B2 | Pro-fragrance composition | COPS5, COPS8, CBR3 | ALDH1A1 1526/4885CYP19A1 3113/4885MAPT 3966/4885 |
“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.