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 | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 5/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | THRA | P10827 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 4/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL6598580 | 0.94 | S1PR1 (0.40) | S1PR1S1PR3PPARDPPARAPPARG | |
| SCHEMBL8624729 | 0.90 | THRA (0.46) | PPARDPPARAPPARGTHRATHRB | |
| SCHEMBL6601187 | 0.89 | PLA2G2A (0.49) | PPARDPPARAPPARGPLA2G2AICMT | |
| SCHEMBL5810419 | 0.88 | PPARD (0.53) | PPARDPPARAPPARGTHRATHRB | |
| SCHEMBL6599833 | 0.88 | PLA2G2A (0.47) | S1PR1PPARDPPARAPPARGTHRA | |
| SCHEMBL5809194 | 0.88 | THRA (0.41) | PPARDPPARAPPARGTHRATHRB | |
| SCHEMBL6610414 | 0.86 | PPARD (0.39) | S1PR1PPARDPPARAPPARGTHRA | |
| SCHEMBL7479941 | 0.85 | PPARD (0.43) | PPARDPPARAPPARGTHRATHRB | |
| SCHEMBL6598709 | 0.85 | THRA (0.44) | PPARDPPARAPPARGTHRATHRB | |
| SCHEMBL6599124 | 0.85 | PLA2G2A (0.42) | PPARDPPARAPPARGTHRATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1170009-B1 | Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists | FUJISAWA PHARMACEUTICAL CO (JP) | 2004-04-07 | — | — | EP | disclosed |
| EP-1170009-A2 | Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-09 | — | — | EP | disclosed |
| US-5994378-A | ANTIALLERGENS; ANTIINFLAMMATORY AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-11-30 | — | — | US | disclosed |