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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9580123 | 0.94 | CYP1A2 (0.41) | CYP1A2PAOXKMT2ALMNATHRB | |
| Bicarbonate SCHEMBL27040890 | 0.94 | CYP1A2 (0.41) | CYP1A2PAOXKMT2ALMNATHRB | |
| Carbamic Acid SCHEMBL28877191 | 0.92 | CYP1A2 (0.39) | CYP1A2PAOXKMT2ALMNATHRB | |
| Butanone SCHEMBL8850752 | 0.92 | ALDH1A1 (0.40) | CYP1A2PAOXKMT2ALMNACPB2 | |
| Propionic Acid SCHEMBL8166953 | 0.90 | FFAR3 (0.39) | CYP1A2PAOXKMT2ALMNATHRB | |
| Methacrylic Acid SCHEMBL28318622 | 0.89 | CYP1A2 (0.35) | CYP1A2PAOXTHRB | |
| Succinic Acid SCHEMBL25378612 | 0.89 | HDAC11 (0.45) | CYP1A2KMT2ALMNATHRBBLM | |
| Methyl Alcohol SCHEMBL9412777 | 0.87 | CYP1A2 (0.35) | CYP1A2KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL18080 | 0.87 | DNM1 (0.33) | CYP1A2KMT2ATSHRNFKB1MEN1 | |
| SCHEMBL4804565 | 0.87 | DNM1 (0.33) | CYP1A2KMT2ATSHRNFKB1MEN1 |
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-113150663-A | Preparation method of water-based polyurea-based expanded steel structure fireproof coating | 华阳新材料科技集团有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-113150663-A | Preparation method of water-based polyurea-based expanded steel structure fireproof coating | 华阳新材料科技集团有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-113150663-A | Preparation method of water-based polyurea-based expanded steel structure fireproof coating | 华阳新材料科技集团有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-0473448-B1 | Electrophotographic imaging member | XEROX CORP (US) | 1996-12-04 | — | — | EP | disclosed |
| CN-1032478-C | Pigmented coating composition, method for the production thereof and use thereof | ROHM & HAAS (US) | 1996-08-07 | — | — | CN | disclosed |
| US-5312863-A | Polymer binder with cationic unsaturated amines monomers, pigments and dispersants | ROHM AND HAAS COMPANY (US) | 1994-05-17 | — | — | US | disclosed |
| EP-0407085-B1 | Cationic latex paint compositions | ROHM & HAAS (US) | 1994-02-16 | — | — | EP | disclosed |
| US-5166381-A | Blocking layer for photoreceptors | XEROX CORPORATION (US) | 1992-11-24 | — | — | US | disclosed |
| EP-0473448-A1 | Electrophotographic imaging member | XEROX CORPORATION (US) | 1992-03-04 | — | — | EP | disclosed |
| US-5091278-A | BLOCKING LAYER FOR PHOTORECEPTORS | XEROX CORPORATION (US) | 1992-02-25 | — | — | US | disclosed |
| CN-1048556-A | CATIONIC LATEX COATING | ROHM & HAAS (US) | 1991-01-16 | — | — | CN | disclosed |
| EP-0407085-A2 | Cationic latex paint compositions | ROHM AND HAAS COMPANY (US) | 1991-01-09 | — | — | EP | disclosed |