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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL7185164 | 0.90 | TSHR (0.36) | TSHRFFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL87553 | 0.88 | FFAR3 (0.50) | TSHRFFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL27469271 | 0.88 | FFAR3 (0.50) | TSHRFFAR3LCKFYNALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28752322 | 0.85 | TSHR (0.46) | TSHRFFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL8835007 | 0.85 | FFAR3 (0.47) | TSHRFFAR3LCKFYNALDH1A1 | |
| Acetic Acid SCHEMBL8834547 | 0.85 | FFAR3 (0.47) | TSHRFFAR3LCKFYNALDH1A1 | |
| Ethylene Glycol SCHEMBL296878 | 0.85 | TSHR (0.39) | TSHRTDP1 | |
| Propylene Glycol SCHEMBL2252165 | 0.84 | TDP1 (0.50) | TSHRFFAR3LCKFYNALDH1A1 | |
| Triethylene Glycol SCHEMBL596544 | 0.84 | MEN1 (0.48) | TSHRFFAR3LCKFYNALDH1A1 | |
| Thioglycolic Acid SCHEMBL27365002 | 0.82 | TSHR (0.33) | TSHRALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0718666-B1 | Liquid crystal-aligning agent | JSR CORP (JP) | 2003-03-26 | — | — | EP | disclosed |
| US-5698135-A | POLYAMIC ACID OBTAINED FROM REACTION OF DIANHYDRIDE OF SPECIFIED TETRACARBOXYLIC ACID AND OF CYCLOBUTANETETRACARBOXYLIC ACID WITH DIAMINE, OR POLYMER OBTAINED BY IMIDIZING SAID POLYAMIC ACID | JAPAN SYNTHETIC RUBBER CO., LTD., A JAPANESE CORPORATION (JP) | 1997-12-16 | — | — | US | disclosed |
| EP-0718666-A1 | Liquid crystal-aligning agent | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-06-26 | — | — | EP | disclosed |
| US-5279917-A | Printing plate | KONICA CORPORATION (JP) | 1994-01-18 | — | — | US | disclosed |
| EP-0512845-A2 | Light-sensitive planographic printing plate and light-sensitive composition | KONICA CORPORATION (JP) | 1992-11-11 | — | — | EP | disclosed |