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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | PTGES | O14684 | 2/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1258932 | 0.95 | CYP3A4 (0.64) | CYP3A4MEN1KMT2AHPGDPTGES | |
| Methoxymethane SCHEMBL9752688 | 0.88 | CYP3A4 (0.56) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL21061225 | 0.85 | CYP3A4 (0.58) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL27537967 | 0.81 | MEN1 (0.59) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL1772914 | 0.79 | CYP3A4 (0.52) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL13893459 | 0.78 | PTGES (0.54) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL28161559 | 0.76 | HK2 (0.48) | CYP3A4MEN1KMT2AHPGDPTGES | |
| Phloroglucinol SCHEMBL27537961 | 0.76 | CYP3A4 (0.63) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL3201657 | 0.76 | CYP3A4 (0.58) | CYP3A4MEN1KMT2AHPGDPTGES | |
| SCHEMBL21515137 | 0.76 | CYP3A4 (0.50) | CYP3A4MEN1KMT2AHPGDPTGES |
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-1991009595-A1 | ANTI-VIRAL COMPOSITIONS | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-11 | — | — | WO | disclosed |