Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitrobenzene. 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 | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8971555 | 0.86 | KMT2A (0.48) | HPGDRAB9AALDH1A1KMT2AMAPK1 | |
| SCHEMBL8970512 | 0.78 | KMT2A (0.47) | ALDH1A1KMT2AMAPK1MAPTPOLB | |
| Nitrobenzene SCHEMBL27941546 | 0.78 | LMNA (0.53) | HPGDRAB9AALDH1A1KMT2AMAPK1 | |
| SCHEMBL4232151 | 0.78 | KMT2A (0.47) | HSP90AA1ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL8968502 | 0.77 | GLA (0.44) | ALDH1A1KMT2AMAPK1POLBKDM4E | |
| SCHEMBL8260641 | 0.77 | MAPT (0.52) | HPGDRAB9AHSP90AA1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL624259 | 0.76 | KMT2A (0.46) | HSP90AA1ALDH1A1KMT2ATDP1POLB | |
| Bromide SCHEMBL344154 | 0.76 | KMT2A (0.50) | HSP90AA1ALDH1A1KMT2ATDP1MAPT | |
| Bromide SCHEMBL5782120 | 0.76 | MAPT (0.51) | HPGDRAB9AHSP90AA1ALDH1A1KMT2A | |
| Nitrobenzene SCHEMBL27283108 | 0.76 | BCL9 (0.59) | HPGDRAB9AALDH1A1KMT2AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0548348-B1 | TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS | EASTMAN KODAK CO (US) | 1996-03-20 | — | — | EP | claimed |