Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.78 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.70 |
| ▸ | CES1 | P23141 | 2/20 | 0.70 |
| ▸ | CES2 | O00748 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
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 SCHEMBL3850860 | 0.94 | TDP1 (0.88) | TDP1SRD5A2CES1CES2MAPK1 | |
| Benzoic Acid SCHEMBL27557362 | 0.92 | TDP1 (0.83) | TDP1SRD5A2CES1CES2MAPK1 | |
| Acetic Acid SCHEMBL27610374 | 0.89 | MAPK1 (0.74) | TDP1SRD5A2CES1CES2MAPK1 | |
| Terephthalic Acid SCHEMBL27685585 | 0.88 | TDP1 (0.83) | TDP1SRD5A2CES1CES2MAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL8766543 | 0.88 | TDP1 (0.91) | TDP1SRD5A2CES1CES2MAPK1 | |
| Terephthalic Acid SCHEMBL28023943 | 0.88 | TDP1 (1.00) | TDP1SRD5A2CES1CES2MAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL43476 | 0.88 | TDP1 (1.00) | TDP1SRD5A2CES1CES2MAPK1 | |
| Benzoic Acid SCHEMBL28199890 | 0.87 | TDP1 (0.63) | TDP1SRD5A2CES1CES2MAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL27616739 | 0.87 | MAPK1 (0.85) | TDP1SRD5A2CES1CES2MAPK1 | |
| 4-Nitrobenzoic Acid SCHEMBL11648887 | 0.87 | TDP1 (0.81) | TDP1SRD5A2CES1CES2MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1419128-A4 | IMPROVED HYDROLYTIC KINETIC RESOLUTION OF EPOXIDES | RHODIA PHARMA SOLUTION INC FOR (US) | 2006-02-15 | — | — | EP | disclosed |
| EP-1419128-A1 | IMPROVED HYDROLYTIC KINETIC RESOLUTION OF EPOXIDES | Rhodia Pharma Solution Inc., (formally Rhodia Chirex Inc.) (US) | 2004-05-19 | — | — | EP | disclosed |
| WO-2003018520-A1 | IMPROVED HYDROLYTIC KINETIC RESOLUTION OF EPOXIDES | RHODIA PHARMA SOLUTIONS INC. (US) | 2003-03-06 | — | — | WO | disclosed |