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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 SCHEMBL10442422 | 1.00 | TSHR (0.44) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| Acetic Acid SCHEMBL5680272 | 0.98 | TSHR (0.42) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| Acetic Acid SCHEMBL11669816 | 0.98 | TSHR (0.42) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| SCHEMBL64376 | 0.95 | — | — | |
| SCHEMBL31217853 | 0.95 | TSHR (0.47) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| Allyl Alcohol SCHEMBL27958898 | 0.93 | TSHR (0.40) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| Benzene SCHEMBL28238137 | 0.93 | CYP3A4 (0.50) | TSHRCYP3A4ALDH1A1LMNAHSD17B10 | |
| SCHEMBL2852893 | 0.92 | — | — | |
| SCHEMBL4557324 | 0.92 | — | — | |
| SCHEMBL2577033 | 0.92 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111542928-A | Paste composition for solar cell electrode and solar cell manufactured using same | LS-Nikko铜制炼株式会社 | 2020-08-14 | — | — | CN | claimed |
| CN-112512996-A | Novel agricultural compositions | 阿鲁恩·维塔尔·沙旺特 | 2021-03-16 | — | — | CN | disclosed |
| WO-2020213720-A1 | HINDERED AMINE COMPOUND, RESIN COMPOSITION, MOLDED ARTICLE, PAINT, AND SEALING MATERIAL | 株式会社ADEKA | 2020-10-22 | — | — | WO | disclosed |
| US-5559133-A | BIS/ARYLOXYALKYL/AROMATIC COMPOUNDS | SCHERING CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0590026-A1 | ORALLY ACTIVE ANTIVIRAL COMPOUNDS | SCHERING CORPORATION (US) | 1994-04-06 | — | — | EP | disclosed |
| WO-1992022520-A1 | ORALLY ACTIVE ANTIVIRAL COMPOUNDS | SCHERING CORPORATION (US) | 1992-12-23 | — | — | WO | disclosed |
| EP-0519702-A1 | Orally active antiviral compounds | SCHERING CORPORATION (US) | 1992-12-23 | — | — | EP | disclosed |