Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Nitrobenzoic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoic Acid SCHEMBL27935693 | 0.87 | TDP1 (0.81) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL21246859 | 0.86 | TDP1 (0.78) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL5676990 | 0.86 | TDP1 (0.78) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL8766543 | 0.85 | TDP1 (0.91) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| Terephthalic Acid SCHEMBL28023943 | 0.85 | TDP1 (1.00) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL43476 | 0.85 | TDP1 (1.00) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL28404617 | 0.85 | TDP1 (0.70) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL28469819 | 0.84 | TDP1 (0.64) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL27616739 | 0.84 | MAPK1 (0.85) | TDP1SRD5A2MAPK1MEN1KMT2A | |
| 4-Nitrobenzoic Acid SCHEMBL29035607 | 0.83 | TDP1 (0.88) | TDP1SRD5A2MAPK1MEN1KMT2A |
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-103923352-B | Regioselectively substituted cellulose esters prepared by carboxylated ionic liquid processes and products prepared therefrom | 伊士曼化工公司 | 2020-10-16 | — | — | CN | disclosed |