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 | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | KDM5C | P41229 | 1/20 | 0.56 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.56 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL6392906 | 0.92 | CTSD (0.59) | CTSDKDM4EKDM5CPHF8KDM2A | |
| Acetone SCHEMBL22554792 | 0.92 | CTSD (0.59) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL5606148 | 0.90 | CTSD (0.56) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL28219205 | 0.89 | ALDH1A1 (0.62) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL49856 | 0.89 | ALDH1A1 (0.62) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL18177795 | 0.87 | CTSD (0.54) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL5606150 | 0.86 | KDM4E (0.60) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL4186692 | 0.86 | ALDH1A1 (0.67) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL1630195 | 0.86 | ALDH1A1 (0.60) | CTSDKDM4EKDM5CPHF8KDM2A | |
| SCHEMBL9007204 | 0.86 | ALDH1A1 (0.60) | CTSDKDM4EKDM5CPHF8KDM2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6716922-B1 | BY EVAPORATING WATER; STRENGTH AND DIMENSIONAL STABILITY UNDER HUMID CONDITIONS; STORAGE STABILITY; EMULSION POLYMERIZATION OF ACRYLIC MONOMER; A HYDROXY-ALKYLATED AMINE; FORMALDEHYDE-FREE BINDERS FOR MOLDINGS, FIBERBOARD | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-06 | — | — | US | disclosed |