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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28094113 | 0.89 | TSHR (0.52) | TSHRALDH1A1TDP1 | |
| Methyl Alcohol SCHEMBL28159056 | 0.85 | — | — | |
| SCHEMBL16776 | 0.85 | — | — | |
| SCHEMBL18631518 | 0.84 | TSHR (0.52) | TSHRALDH1A1TDP1 | |
| SCHEMBL11496537 | 0.83 | TSHR (0.43) | TSHR | |
| Hydrochloric Acid SCHEMBL3522396 | 0.83 | — | — | |
| Water SCHEMBL28216861 | 0.83 | TSHR (0.41) | TSHRALDH1A1 | |
| Ethylene SCHEMBL27878838 | 0.83 | — | — | |
| Sulfur Dioxide SCHEMBL11396925 | 0.81 | TSHR (0.41) | TSHRALDH1A1 | |
| Methoxymethane SCHEMBL28159057 | 0.80 | TSHR (0.39) | TSHRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699191-A | Copolymer, antithrombotic smears and medical instruments using it | 丸善石油化学株式会社 | 2018-10-23 | — | — | CN | disclosed |
| US-6821933-B2 | ADDITIVE FOR IMPROVING THE FLOWABILITY OF MINERAL OILS COMPRISING A) FROM 1 TO 40% BY WEIGHT OF AT LEAST ONE COPOLYMER WHICH IS OILSOLUBLE AND IS A COLD-FLOW IMPROVER FOR MINERAL OILS SELECTED FROM A1) COPOLYMERS OF FROM 80 TO 96.5 | CLARIANT INTERNATIONAL LTD. (CH) | 2004-11-23 | — | — | US | disclosed |
| US-20030171221-A1 | Additives for improving the cold flow properties and the storage stability of crude oil | CLARIANT FINANCE (BVI) LTD. (VG) | 2003-09-11 | — | — | US | disclosed |
| EP-0776341-A1 | CATIONIC POLYMERIZATION IN CARBON DIOXIDE | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1997-06-04 | — | — | EP | disclosed |
| WO-1996006118-A1 | CATIONIC POLYMERIZATION IN CARBON DIOXIDE | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-02-29 | — | — | WO | disclosed |