Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ACP3 | P15309 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 2/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL13277687 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL27570956 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL5277749 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL28658933 | 0.92 | ALDH1A1 (0.76) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL28731494 | 0.90 | ALDH1A1 (0.73) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL1758147 | 0.84 | ALDH1A1 (0.64) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL28267370 | 0.83 | ALDH1A1 (0.70) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL10777905 | 0.83 | ALDH1A1 (0.70) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Nitrobenzene SCHEMBL28339777 | 0.81 | ALDH1A1 (0.73) | ALDH1A1LMNAACP3CYP1A2CYP2C19 | |
| Phosphoric Acid SCHEMBL28639141 | 0.80 | CA1 (0.65) | ALDH1A1LMNACES2CES1AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7807653-B2 | Nucleotide mimics and their prodrugs | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2010-10-05 | — | — | US | disclosed |