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 | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.43 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | CNR2 | P34972 | 4/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL123770 | 0.96 | TRPV1 (0.46) | TRPV1CNR1CNR2GNAI3GNAO1 | |
| Phosphoric Acid SCHEMBL9844239 | 0.91 | TRPV1 (0.42) | TRPV1CNR1CNR2GNAI3GNAO1 | |
| Lactic Acid SCHEMBL9843961 | 0.91 | MEN1 (0.40) | TRPV1CNR1CNR2ALDH1A1LMNA | |
| Acetic Acid SCHEMBL9844165 | 0.90 | TRPV1 (0.33) | TRPV1CNR1CNR2ALDH1A1LMNA | |
| Citric Acid SCHEMBL9844145 | 0.87 | OPRD1 (0.37) | TRPV1CNR1CNR2GNAI3GNAO1 | |
| SCHEMBL122497 | 0.85 | TRPV1 (0.35) | TRPV1CNR1CNR2GNAI3GNAO1 | |
| Lactic Acid SCHEMBL6445485 | 0.83 | FAAH (0.36) | TRPV1CNR1CNR2ALDH1A1LMNA | |
| Phosphoric Acid SCHEMBL9844199 | 0.82 | ALDH1A1 (0.33) | TRPV1CNR1CNR2ALDH1A1LMNA | |
| Citric Acid SCHEMBL9844312 | 0.78 | ALDH1A1 (0.34) | ALDH1A1LMNAHTTMAPTSMN1; SMN2 | |
| SCHEMBL176250 | 0.72 | MEN1 (0.41) | HTTMEN1KMT2A |
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 |