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 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL220576 | 0.94 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| Acetic Acid SCHEMBL27451410 | 0.94 | CYP3A4 (0.48) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| SCHEMBL5535925 | 0.93 | ALDH1A1 (0.47) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| SCHEMBL29101463 | 0.93 | ALDH1A1 (0.54) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL9015686 | 0.93 | ALDH1A1 (0.54) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL9015680 | 0.93 | ALDH1A1 (0.54) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| SCHEMBL27551552 | 0.91 | ALDH1A1 (0.52) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| SCHEMBL4372406 | 0.90 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| Alcohol SCHEMBL8193854 | 0.90 | ALDH1A1 (0.47) | ALDH1A1ALOX15KDM4EHSD17B10HPGD | |
| Phthalic Acid SCHEMBL28120443 | 0.87 | ALDH1A1 (0.52) | ALDH1A1ALOX15KDM4EHSD17B10HPGD |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868240-A | Targeted CRISPR delivery platforms | 马萨诸塞大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-102482312-A | Novel crystalline heteroaromatic fluoroglycoside hydrates, pharmaceuticals comprising these compounds and their use | SANOFI AVENTIS | 2012-05-30 | — | — | CN | disclosed |
| CN-1272105-A | Compound containing six-membered rings, processes for their preparation, and their use as medicaments | GILEAD SCIENCES INC (US) | 2000-11-01 | — | — | CN | disclosed |
| EP-0567201-B1 | Vehicles for oral administration of a specific pharmaceutically active acid labile substance | ASTRA AB (SE) | 1999-09-15 | — | — | EP | disclosed |
| EP-0496437-B1 | Use of specific core material and layers to obtain pharmaceutical formulations stable to discolouration of omeprazole | HAESSLE AB (SE) | 1996-07-17 | — | — | EP | disclosed |
| CN-1098286-A | The osmotic bursting delivery devices that pH causes | PFIZER (US) | 1995-02-08 | — | — | CN | disclosed |
| EP-0567201-A2 | Vehicles for oral administration of a specific pharmaceutically active acid labile substance | AKTIEBOLAGET HÄSSLE (SE) | 1993-10-27 | — | — | EP | disclosed |
| EP-0247983-B1 | NEW PHARMACEUTICAL PREPARATION FOR ORAL USE | Aktiebolaget Hässle (SE) | 1993-01-07 | — | — | EP | disclosed |
| EP-0496437-A2 | Use of specific core material and layers to obtain pharmaceutical formulations stable to discolouration of omeprazole | Aktiebolaget Hässle (SE) | 1992-07-29 | — | — | EP | disclosed |
| US-4786505-A | OMEPRAZOLE, ANTISECRETORY AGENTS | AKTIEBOLAGET HASSLE (SE) | 1988-11-22 | — | — | US | disclosed |
| EP-0247983-A2 | New pharmaceutical preparation for oral use | Aktiebolaget Hässle (SE) | 1987-12-02 | — | — | EP | disclosed |
| US-4472494-A | MALEIC ANHYDRIDE-STYRENE COPOLYMER, PHOTORESIST | NAPP SYSTEMS (USA), INC. (US) | 1984-09-18 | — | — | US | disclosed |