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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL122541 | 0.95 | DNM1 (0.50) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| Urea SCHEMBL20515740 | 0.91 | DNM1 (0.46) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| Phosphoric Acid SCHEMBL9844412 | 0.89 | DNM1 (0.45) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| SCHEMBL28881097 | 0.89 | DNM1 (0.50) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| SCHEMBL28881076 | 0.89 | DNM1 (0.50) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| SCHEMBL5460718 | 0.89 | DNM1 (0.53) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| Lactic Acid SCHEMBL9844034 | 0.88 | FAAH (0.45) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| SCHEMBL5935452 | 0.87 | TRPV1 (0.55) | MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL6577915 | 0.86 | GPR84 (0.50) | DNM1HSP90AA1FAAHMEN1KMT2A | |
| SCHEMBL10792517 | 0.85 | DNM1 (0.50) | DNM1HSP90AA1FAAHMEN1KMT2A |
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 4 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 |
| EP-0410659-A2 | Method and composition to impart improved conditioning properties to the hair | HELENE CURTIS, INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4976956-A | Water soluble and oil soluble quaternary ammonium compounds and amidoamine | HELENE CURTIS, INC. (US) | 1990-12-11 | — | — | US | disclosed |