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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetraphenylphosphonium SCHEMBL1037056 | 0.88 | CA2 (0.42) | CES2CES1CA1CA2CYP2C19 | |
| Tetraphenylphosphonium SCHEMBL7944626 | 0.86 | CA2 (0.41) | CES2CES1CA1CA2CYP2C19 | |
| Tetraphenylphosphonium SCHEMBL21268045 | 0.84 | CA2 (0.39) | CES2CES1CA1CA2CYP2C19 | |
| Tetraphenylphosphonium SCHEMBL1450459 | 0.82 | CA2 (0.35) | CES2CES1CA1CA2CYP2C19 | |
| Acetic Acid SCHEMBL7060294 | 0.82 | CES2 (0.45) | CES2CES1TSHRMAPTMEN1 | |
| Bromide SCHEMBL7519081 | 0.81 | TSHR (0.50) | CES2CES1CYP2C19CYP2C9HSD17B10 | |
| Hydrochloric Acid SCHEMBL7063181 | 0.81 | TSHR (0.50) | CES2CES1CYP2C19CYP2C9HSD17B10 | |
| Iodide SCHEMBL7517751 | 0.81 | TSHR (0.50) | CES2CES1CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL10884076 | 0.80 | TSHR (0.40) | CES2CES1CYP2C19CYP2C9HSD17B10 | |
| SCHEMBL11324654 | 0.79 | TSHR (0.43) | CES2CES1CYP2C19CYP2C9HSD17B10 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1130334-C | Process for preparing diaryl carbonate | UBE INDUSTRIES (JP) | 2003-12-10 | — | — | CN | disclosed |
| CN-1130335-C | Process for producing diaryl carbonate | UBE INDUSTRIES (JP) | 2003-12-10 | — | — | CN | disclosed |
| EP-1013633-B1 | Process for producing a diaryl carbonate | UBE INDUSTRIES (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0832910-B1 | Process for producing a polycarbonate | UBE INDUSTRIES (JP) | 2002-06-26 | — | — | EP | disclosed |
| EP-0832872-B1 | Process for producing diaryl carbonate | UBE INDUSTRIES (JP) | 2002-01-30 | — | — | EP | disclosed |
| EP-0795539-B1 | Process for producing a diaryl carbonate | UBE INDUSTRIES (JP) | 2001-10-31 | — | — | EP | disclosed |
| EP-0834496-B1 | Preparation of diaryl carbonate | UBE INDUSTRIES (JP) | 2001-08-16 | — | — | EP | disclosed |
| EP-0834495-B1 | Process for preparing diaryl carbonate | UBE INDUSTRIES (JP) | 2000-12-27 | — | — | EP | disclosed |
| EP-1013633-A1 | Process for producing a diaryl carbonate | Ube Industries, Ltd. (JP) | 2000-06-28 | — | — | EP | disclosed |
| US-5922827-A | Process for producing a polycarbonate | UBE INDUSTRIES, LTD. (JP) | 1999-07-13 | — | — | US | disclosed |
| EP-0834496-A1 | Preparation of diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0834495-A1 | Process for preparing diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-08 | — | — | EP | disclosed |
| EP-0832910-A2 | Process for producing a polycarbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-01 | — | — | EP | disclosed |
| EP-0832872-A1 | Process for producing diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-04-01 | — | — | EP | disclosed |
| US-5731453-A | Process for producing a diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0826658-A1 | Catalyst for decarbonylation reaction | UBE INDUSTRIES, LTD. (JP) | 1998-03-04 | — | — | EP | disclosed |
| CN-1164529-A | Process for preparing diaryl carbonate | UBE INDUSTRIES (JP) | 1997-11-12 | — | — | CN | disclosed |
| EP-0795539-A1 | Process for producing a diaryl carbonate | UBE INDUSTRIES LIMITED (JP) | 1997-09-17 | — | — | EP | disclosed |
| US-5648510-A | DECARBONYLATION OF OXALATE | UBE INDUSTRIES, LTD. (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0737665-A1 | Process for preparation of diaryl carbonate | UBE INDUSTRIES, LTD. (JP) | 1996-10-16 | — | — | EP | disclosed |