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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | CASP2 | P42575 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.40 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.40 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL123772 | 0.98 | FAAH (0.47) | FAAHDNM1PRCPEPHX2CASP2 | |
| Phosphoric Acid SCHEMBL9844248 | 0.93 | LPAR1 (0.44) | FAAHDNM1PRCPEPHX2CASP2 | |
| Lactic Acid SCHEMBL427896 | 0.91 | FAAH (0.41) | FAAHDNM1PRCPEPHX2CASP2 | |
| Citric Acid SCHEMBL9844150 | 0.88 | EPHX2 (0.40) | FAAHDNM1PRCPEPHX2CASP2 | |
| Acetic Acid SCHEMBL7189811 | 0.85 | EPHX1 (0.51) | BRD4 | |
| Acetic Acid SCHEMBL5801682 | 0.85 | EPHX1 (0.51) | BRD4 | |
| SCHEMBL27555094 | 0.81 | SLC6A2 (0.45) | CASP2BRD4HPGD | |
| SCHEMBL17688823 | 0.81 | SLC6A2 (0.48) | KDM4EBRD4 | |
| Propionic Acid SCHEMBL7185458 | 0.78 | EPHX1 (0.50) | — | |
| SCHEMBL4423889 | 0.77 | EPHX1 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0410659-A2 | Method and composition to impart improved conditioning properties to the hair | HELENE CURTIS, INC. (US) | 1991-01-30 | — | — | EP | claimed |
| US-4976956-A | Water soluble and oil soluble quaternary ammonium compounds and amidoamine | HELENE CURTIS, INC. (US) | 1990-12-11 | — | — | US | claimed |