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 | 0.48 |
| ▸ | PPARD | Q03181 | 8/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.48 |
| ▸ | PPARG | P37231 | 7/20 | 0.48 |
| ▸ | PPARA | Q07869 | 7/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 SCHEMBL15015769 | 0.98 | PPARD (0.46) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL1154135 | 0.90 | AKR1B1 (0.42) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL6860570 | 0.90 | AKR1B1 (0.42) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL114460 | 0.90 | AKR1B1 (0.42) | PPARDGPR84PPARGPPARAHDAC11 | |
| Propionic Acid SCHEMBL20271785 | 0.88 | GPR84 (0.52) | PPARDGPR84PPARGPPARAHDAC11 | |
| Propionic Acid SCHEMBL27609234 | 0.88 | GPR84 (0.52) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL948487 | 0.87 | CES1 (0.44) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL7942510 | 0.87 | AKR1B1 (0.40) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL28521369 | 0.87 | CES1 (0.44) | PPARDGPR84PPARGPPARAHDAC11 | |
| Acetic Acid SCHEMBL6865097 | 0.87 | AKR1B1 (0.40) | PPARDGPR84PPARGPPARAHDAC11 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111021071-A | Mosquito-proof waterproof finishing agent and supercritical carbon dioxide anhydrous finishing method thereof | 浙江工业大学之江学院 | 2020-04-17 | — | — | CN | claimed |
| CN-117500770-A | Coated particulate material, method of coating a particulate material and use of a binder in coating a particulate material | ASK化学品股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| US-20200148809-A1 | PROCESS FOR THE PREPARATION OF ALICYCLIC POLYISOCYANATE | BASF SE (DE) | 2020-05-14 | — | — | US | disclosed |
| CN-111021071-A | Mosquito-proof waterproof finishing agent and supercritical carbon dioxide anhydrous finishing method thereof | 浙江工业大学之江学院 | 2020-04-17 | — | — | CN | disclosed |
| US-20180223030-A1 | METHOD FOR PRODUCING FLEXIBLE POLYESTER URETHANE FOAMS WITH INCREASED COMPRESSIVE STRENGTH | COVESTRO DEUTSCHLAND AG (DE) | 2018-08-09 | — | — | US | disclosed |
| CN-104583252-B | Polymerizable composition for epoxy acrylic optical material and method for producing epoxy acrylic optical material | 可奥熙搜路司有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-1113594-A | Surface-modified conductive pigment | MERCK PATENT GMBH (DE) | 1995-12-20 | — | — | CN | disclosed |
| US-5362834-A | Reaction products of polyisocyanates and mixture of polyols having specific hydroxyl number ranges; pressure distribution elements | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-08 | — | — | US | disclosed |
| EP-0342276-B1 | A PROCESS FOR PREPARING A METAL CONTAINING RESIN COMPOSITION AND THE USE OF THE COMPOSITION THUS PREPARED AS A RESINOUS VEHICLE IN ANTIFOULING PAINT | Nippon Paint Co., Ltd. (JP) | 1993-09-15 | — | — | EP | disclosed |
| US-4918147-A | REACTING ACID GROUP CONTAINING RESIN WITH LOW BOILING METAL SALT AND HIGH BOILING ORGANIC ACID; ACRYLICS, POLYESTERS, EPOXY RESINS | NIPPON PAINT CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0342276-A1 | A process for preparing a metal containing resin composition and the use of the composition thus prepared as a resinous vehicle in antifouling paint | Nippon Paint Co., Ltd. (JP) | 1989-11-23 | — | — | EP | disclosed |
| US-4466936-A | Production of molds using gel compositions with depot action based on a polyurethane matrix and relatively high molecular weight polyols | BAYER AKTIENGESELLSCHAFT (DE) | 1984-08-21 | — | — | US | disclosed |
| US-4456642-A | HIGH MOLECULAR WEIGHT CROSSLINKED POLYURETHANE AND DISPERSANT | BAYER AKTIENGESELLSCHAFT (DE) | 1984-06-26 | — | — | US | disclosed |
| US-4404296-A | SUSTAINED RELEASE, MOLDING MATERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-13 | — | — | US | disclosed |
| US-4036813-A | TRIORGANOSILYL-ORGANO-CARBAMATES OR -ALLOPHANATES | GENERAL ELECTRIC COMPANY (US) | 1977-07-19 | — | — | US | disclosed |