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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.38 |
| ▸ | FAAH | O00519 | 8/20 | 0.35 |
| ▸ | CES1 | P23141 | 7/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL573401 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL2214877 | 0.88 | MCL1 (0.39) | MCL1FAAHCES1CES2CYP1A2 | |
| SCHEMBL1011084 | 0.78 | — | — | |
| SCHEMBL1012319 | 0.76 | — | — | |
| SCHEMBL24410357 | 0.73 | MCL1 (0.38) | MCL1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3391018 | 0.73 | MCL1 (0.38) | MCL1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1583542 | 0.73 | MCL1 (0.40) | MCL1FAAHCES1CES2CYP1A2 | |
| SCHEMBL23982819 | 0.73 | MCL1 (0.38) | MCL1CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL1013569 | 0.73 | MCL1 (0.38) | MCL1CYP1A2CYP3A4CYP2C19CTSS | |
| Acetic Acid SCHEMBL27647871 | 0.72 | MCL1 (0.46) | MCL1MEN1KMT2AFFAR3LCK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011077388-A1 | MODIFICATION OF ENZYMATIC CROSSLINKERS FOR CONTROLLING PROPERTIES OF CROSSLINKED MATRICES | LIFEBOND LTD (IL) | 2011-06-30 | — | — | WO | disclosed |