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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.62 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.62 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 7/20 | 0.41 |
| ▸ | PPARD | Q03181 | 7/20 | 0.41 |
| ▸ | PPARA | Q07869 | 7/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27585246 | 0.93 | SPHK2 (0.74) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL27952396 | 0.93 | SPHK2 (0.74) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL20298430 | 0.93 | SPHK2 (0.74) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL21802164 | 0.91 | SPHK2 (0.78) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL28032978 | 0.91 | SPHK2 (0.78) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL30442710 | 0.91 | SPHK2 (0.78) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL29257566 | 0.87 | SPHK2 (0.50) | SPHK2SPHK1ALDH1A1HDAC11TSHR | |
| SCHEMBL1795496 | 0.87 | — | — | |
| SCHEMBL3262023 | 0.87 | SPHK2 (0.79) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Acetic Acid SCHEMBL17417750 | 0.85 | SPHK2 (0.48) | SPHK2SPHK1CES1CES2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1262822-B1 | High chloride silver halide elements containing pyrimidine compounds | EASTMAN KODAK CO (US) | 2005-07-27 | — | — | EP | disclosed |
| US-6573038-B2 | Controlling fog growth in silver halide photographic elements | EASTMAN KODAK COMPANY | 2003-06-03 | — | — | US | disclosed |
| US-20030082492-A1 | High chloride silver halide elements containing pyrimidine compounds | EASTMAN KODAK COMPANY | 2003-05-01 | — | — | US | disclosed |
| EP-1262822-A2 | High chloride silver halide elements containing pyrimidine compounds | EASTMAN KODAK COMPANY (US) | 2002-12-04 | — | — | EP | disclosed |
| CN-1020897-C | PROCESS FOR PREPARING OF PENTAMIDINE SALTS USEFUL IN TREATMENT AND PROPHYLAXIS OF PNEUMOCYSTIS CARINII PNEUMONIA | LYPHOMED INC (US) | 1993-05-26 | — | — | CN | disclosed |
| CN-1033046-A | Be used for the treatment of and prevent the pentamidine salts of pneumocystis carinii pneumonia | LYPHOMED LTD (US) | 1989-05-24 | — | — | CN | disclosed |