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 | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ERCC1 | P07992 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27711405 | 0.98 | STAT3 (0.37) | STAT3STAT1NPSR1HSD17B10GAA | |
| Hydrogen Peroxide SCHEMBL28310892 | 0.89 | STAT3 (0.43) | STAT3STAT1 | |
| Methacrylic Acid SCHEMBL27884095 | 0.89 | STAT3 (0.35) | STAT3STAT1NPSR1HSD17B10KDM4E | |
| Acetic Acid SCHEMBL21121213 | 0.89 | STAT3 (0.33) | STAT3STAT1 | |
| Acetic Acid SCHEMBL27711407 | 0.89 | STAT3 (0.33) | STAT3STAT1 | |
| Propionic Acid SCHEMBL2502176 | 0.87 | FFAR3 (0.36) | STAT3STAT1KMT2APIN1ADORA3 | |
| Propionic Acid SCHEMBL27439210 | 0.87 | FFAR3 (0.36) | STAT3STAT1KMT2APIN1ADORA3 | |
| SCHEMBL7763830 | 0.86 | STAT3 (0.33) | STAT3STAT1 | |
| Methyl Alcohol SCHEMBL28216393 | 0.85 | STAT3 (0.38) | STAT3STAT1 | |
| Methyl Alcohol SCHEMBL27675581 | 0.85 | STAT3 (0.38) | STAT3STAT1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108300458-A | A kind of metalloporphyrin organic frame quantum dot and preparation method thereof | 南京邮电大学 | 2018-07-20 | — | — | CN | claimed |
| CN-108300458-A | A kind of metalloporphyrin organic frame quantum dot and preparation method thereof | 南京邮电大学 | 2018-07-20 | — | — | CN | disclosed |
| CN-102397794-B | Complex catalyst system and application thereof to decomposition of naphthene hydrogen peroxide | DALIAN CHEMICAL PHYSICS INST | 2013-09-11 | — | — | CN | disclosed |
| CN-102397794-A | Complex catalyst system and application thereof in decomposing naphthenic hydroperoxide | DALIAN CHEMICAL PHYSICS INST | 2012-04-04 | — | — | CN | disclosed |
| CN-100420689-C | Porphyrin derivate with macrosubstituent, preparation process thereof and use as small molecule antioxidant | XIANCHANG GONG (CN) | 2008-09-24 | — | — | CN | disclosed |
| CN-1450066-A | Porphyrin derivate with macrosubstituent, preparation process thereof and use as small molecule antioxidant | GONG XIANCHANG (CN) | 2003-10-22 | — | — | CN | disclosed |
| US-5773835-A | Fiber optic spectroscopy | RARE EARTH MEDICAL, INC. (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0426290-A2 | Process for the production of detergent range alcohols and ketones | TEXACO CHEMICAL COMPANY (US) | 1991-05-08 | — | — | EP | disclosed |