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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28055212 | 0.85 | CYP3A4 (0.89) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| Ethane SCHEMBL28069740 | 0.85 | CYP3A4 (0.89) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| SCHEMBL136940 | 0.85 | CYP3A4 (1.00) | CYP3A4MAPK1TSHRHSD17B10HSP90AA1 | |
| SCHEMBL27286341 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| Methane SCHEMBL28776381 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| SCHEMBL27287703 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| SCHEMBL11876110 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| Hydrochloric Acid SCHEMBL11673852 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| SCHEMBL2812523 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 | |
| SCHEMBL27375138 | 0.83 | CYP3A4 (0.94) | CYP3A4MAPK1TSHRCLCN2HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111257489-A | Method for analyzing volatile phenolic compounds in water based on ultrasonic-assisted in-situ bubbling and simultaneous derivatization-dispersion liquid-liquid microextraction | 浙江工业大学 | 2020-06-09 | — | — | CN | disclosed |
| WO-1997047200-A1 | WIDE RANGE CLEANING AND DISINFECTING PREPARATIONS | ABRAHAM WEITZMAN (CA) | 1997-12-18 | — | — | WO | disclosed |