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 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL268314 | 0.96 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL28119011 | 0.96 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL30277515 | 0.96 | ALDH1A1 (0.65) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL4174027 | 0.94 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| Alcohol SCHEMBL28355733 | 0.93 | ALDH1A1 (0.62) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL4965582 | 0.90 | ALDH1A1 (0.63) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL7064777 | 0.84 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL3517816 | 0.84 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL1534258 | 0.82 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL10883059 | 0.81 | ALDH1A1 (0.64) | ALDH1A1HSD17B10KDM4EPOLBTSHR |
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-1216017-B1 | HAIR CARE COMPOSITION | BOOTS CO PLC (GB) | 2007-09-12 | — | — | EP | disclosed |
| EP-1216017-A1 | HAIR CARE COMPOSITION | The Boots Company PLC (GB) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001022924-A1 | HAIR CARE COMPOSITION | THE BOOTS COMPANY PLC (GB) | 2001-04-05 | — | — | WO | disclosed |
| WO-1996036312-A1 | HAIR CARE COMPOSITIONS | THE BOOTS COMPANY PLC (GB) | 1996-11-21 | — | — | WO | disclosed |