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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | NAMPT | P43490 | 1/20 | 0.65 |
| ▸ | XDH | P47989 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL271340 | 0.91 | CYP3A4 (0.77) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| SCHEMBL29923659 | 0.91 | CYP3A4 (0.77) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| SCHEMBL27417217 | 0.90 | CYP3A4 (0.60) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| Nitric Acid SCHEMBL4907401 | 0.89 | CYP3A4 (0.71) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| SCHEMBL8425555 | 0.89 | CYP3A4 (0.75) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| Silver SCHEMBL11230934 | 0.89 | CYP3A4 (0.75) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| Alcohol SCHEMBL28252889 | 0.88 | CYP3A4 (0.65) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| Dimethyl Sulfoxide SCHEMBL28289766 | 0.87 | CYP3A4 (0.67) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| Dimethylformamide SCHEMBL11127603 | 0.84 | CYP3A4 (0.63) | CYP3A4NAMPTXDHKDM4ETDP1 | |
| SCHEMBL7353332 | 0.83 | CYP3A4 (0.55) | CYP3A4NAMPTXDHKDM4ETDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105425530-A | Method for reducing emulsion fog by 6-nitrobenzimidazole | TIANJIN MEDIA IMAGING MAT CO LTD | 2016-03-23 | — | — | CN | disclosed |