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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7286474 | 0.96 | DDB1 (0.46) | KDM4EPKMDDB1CRBNGPR119 | |
| SCHEMBL7284631 | 0.89 | DDB1 (0.48) | KDM4EPKMDDB1CRBNGPR119 | |
| SCHEMBL9261416 | 0.87 | NR1H2 (0.42) | KDM4EDDB1CRBNGPR119MAPT | |
| Acetic Acid Methyl Ester SCHEMBL7284702 | 0.86 | GPR119 (0.44) | KDM4EPKMDDB1CRBNGPR119 | |
| SCHEMBL7286397 | 0.77 | ACE (0.51) | KDM4EPKMGPR119FAAHHPGD | |
| SCHEMBL7276724 | 0.77 | ACE (0.51) | KDM4EPKMGPR119FAAHHPGD | |
| SCHEMBL17978901 | 0.76 | GPR119 (0.50) | KDM4EDDB1CRBNGPR119MAPT | |
| SCHEMBL15000860 | 0.75 | GNAI3 (0.51) | KDM4EPKMGPR119FAAHMAPT | |
| SCHEMBL7274902 | 0.74 | ACE (0.49) | KDM4EPKMDDB1CRBNGPR119 | |
| SCHEMBL5889083 | 0.74 | ALDH1A1 (0.49) | KDM4EDDB1CRBNGPR119MAPT |
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-1992019595-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1992-11-12 | — | — | WO | disclosed |