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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTN3A1 | O00481 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KLK8 | O60259 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | KLK2 | P20151 | 1/20 | 0.41 |
| ▸ | KLK4 | Q9Y5K2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27726035 | 0.89 | L3MBTL1 (0.50) | L3MBTL1 | |
| SCHEMBL4456003 | 0.89 | L3MBTL1 (0.50) | L3MBTL1 | |
| SCHEMBL10632904 | 0.84 | CETP (0.49) | CETPL3MBTL1 | |
| SCHEMBL23650048 | 0.82 | CETP (0.51) | CETP | |
| SCHEMBL28066866 | 0.82 | CETP (0.51) | CETP | |
| SCHEMBL12564833 | 0.82 | CETP (0.51) | CETP | |
| SCHEMBL3219961 | 0.82 | CETP (0.51) | CETP | |
| SCHEMBL29068752 | 0.82 | CETP (0.51) | CETP | |
| SCHEMBL2595713 | 0.80 | SRC (0.54) | BTN3A1L3MBTL1KLK8PLAUKLK2 | |
| SCHEMBL28177059 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6140271-A | 1-ETHYL-4-(2-METHYL-3-(3-OXETANYLOXY)-4-METHYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE, FOR EXAMPLE AND BENZOIC ACID CHEMICAL INTERMEDIATES; POSTEMERGENCE HERBICIDES | DOW AGROSCIENCES LLC (US) | 2000-10-31 | — | — | US | disclosed |
| US-5962690-A | HERBICIDES | DOW AGROSCIENCES LLC (US) | 1999-10-05 | — | — | US | disclosed |