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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | APEX1 | P27695 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
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 SCHEMBL11665147 | 0.88 | CA1 (0.53) | ACHEMEN1KMT2ASMN1; SMN2LMNA | |
| Acetic Acid SCHEMBL5574141 | 0.87 | DNM1 (0.52) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL319522 | 0.87 | ACHE (0.52) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL5574313 | 0.85 | DNM1 (0.64) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL11295101 | 0.85 | ACHE (0.50) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL23501563 | 0.83 | DNM1 (0.68) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL534554 | 0.83 | DNM1 (0.68) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL11395184 | 0.83 | DNM1 (0.68) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Acetic Acid SCHEMBL5574277 | 0.83 | DNM1 (0.68) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 | |
| Cetrimonium SCHEMBL241633 | 0.83 | DNM1 (0.68) | ACHEMEN1KMT2AAPEX1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404762-B1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-7078498-B2 | Method of coloring hair using cationic dyes | CIBE SPECIALTY CHEMICALS CORPORATION (US) | 2006-07-18 | — | — | US | disclosed |
| US-6949630-B2 | Cationic reactive dyes | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |
| EP-1404762-A1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | Ciba SC Holding AG (CH) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003006554-A1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-01-23 | — | — | WO | disclosed |