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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 SCHEMBL28805964 | 0.97 | CYP2D6 (0.41) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Acetic Acid SCHEMBL28813558 | 0.97 | CYP2D6 (0.39) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Acetone SCHEMBL27616570 | 0.95 | CYP2C19 (0.38) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Bicarbonate SCHEMBL27933722 | 0.93 | TSHR (0.36) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Acetic Acid SCHEMBL27285230 | 0.93 | CYP2D6 (0.39) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Oxalic Acid SCHEMBL27401043 | 0.92 | CYP2C19 (0.35) | CYP2C19CYP2D6MTNR1AMTNR1BCYP3A4 | |
| Methyl Alcohol SCHEMBL27613739 | 0.90 | CYP3A4 (0.39) | CYP2C19CYP2D6CYP3A4TSHRKDM4E | |
| SCHEMBL28022926 | 0.90 | CYP3A4 (0.39) | CYP2C19CYP2D6CYP3A4TSHRKDM4E | |
| Benzene SCHEMBL19838142 | 0.89 | TSHR (0.41) | CYP2C19CYP2D6CYP3A4TSHRKDM4E | |
| Benzene SCHEMBL27434033 | 0.89 | TSHR (0.41) | CYP2C19CYP2D6CYP3A4TSHRKDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5334699-A | Polymeric initiator compounds | XEROX CORPORATION (US) | 1994-08-02 | — | — | US | claimed |
| US-9783654-B2 | Additives and methods for terminating polymerization and/or reducing viscosity of polymer solution | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2017-10-10 | — | — | US | disclosed |
| US-9181464-B2 | Adhesive resin compositions, and laminates and flexible printed wiring boards using same | SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) | 2015-11-10 | — | — | US | disclosed |
| US-20130158174-A1 | ADDITIVES AND METHODS FOR TERMINATING POLYMERIZATION AND/OR REDUCING VISCOSITY OF POLYMER SOLUTION | BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) | 2013-06-20 | — | — | US | disclosed |
| US-20120048598-A1 | ADHESIVE RESIN COMPOSITION, AND LAMINATE AND FLEXIBLE PRINTED WIRING BOARD USING THE SAME | SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) | 2012-03-01 | — | — | US | disclosed |
| US-20120043118-A1 | ADHESIVE RESIN COMPOSITION, AND LAMINATE AND FLEXIBLE PRINTED WIRING BOARD USING THE SAME | SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) | 2012-02-23 | — | — | US | disclosed |
| US-20110305883-A1 | ADHESIVE RESIN COMPOSITIONS, AND LAMINATES AND FLEXIBLE PRINTED WIRING BOARDS USING SAME | SUMITOMO ELECTRIC PRINTED CIRCUITS, INC. (JP) | 2011-12-15 | — | — | US | disclosed |
| US-20110303439-A1 | ADHESIVE RESIN COMPOSITIONS, AND LAMINATES AND FLEXIBLE PRINTED WIRING BOARDS USING SAME | SUMITOMO ELECTRIC PRINTED CIRCUITS, INC, (JP) | 2011-12-15 | — | — | US | disclosed |
| US-5334699-A | Polymeric initiator compounds | XEROX CORPORATION (US) | 1994-08-02 | — | — | US | disclosed |
| US-4395569-A | ESTERIFICATION OF AN ALKANOLAMINE ORGANIC SULFONIC ACID SALT; HEATING | ROHM AND HAAS COMPANY (US) | 1983-07-26 | — | — | US | disclosed |
| US-4194052-A | ESTERIFICATION WITH AN ORGANIC ACID OF A SULFONIC ACID SALT OF AN ALKANOLAMINE, INTERMEDIATES FOR CORRESPONDING ISOCYANATES | ROHM AND HAAS COMPANY (US) | 1980-03-18 | — | — | US | disclosed |
| US-4176232-A | Sulfonic acid salts of acyloxyalkylamines | ROHM AND HAAS COMPANY (US) | 1979-11-27 | — | — | US | disclosed |
| US-4088674-A | Novel ester isocyanates | ROHM AND HAAS COMPANY (US) | 1978-05-09 | — | — | US | disclosed |