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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | CES1 | P23141 | 3/20 | 0.63 |
| ▸ | CES2 | O00748 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CRHBP | P24387 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.54 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL6858789 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL27075815 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL2029354 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL3489404 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL25293390 | 0.92 | ALDH1A1 (0.94) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL11825863 | 0.90 | ALDH1A1 (0.80) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL8981319 | 0.90 | ALDH1A1 (0.80) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL27304275 | 0.90 | ALDH1A1 (0.89) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL28501265 | 0.90 | ALDH1A1 (0.89) | ALDH1A1LMNACES1CES2TDP1 | |
| Nitrobenzene SCHEMBL28432319 | 0.90 | ALDH1A1 (0.89) | ALDH1A1LMNACES1CES2TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5453341-A | Radiation-sensitive polymers and positive-working recording materials | SCHWALM REINHOLD (DE) | 1995-09-26 | — | — | US | disclosed |
| US-5260410-A | Photodegradation, semiconductor photoresists | SCHWALM REINHOLD (DE) | 1993-11-09 | — | — | US | disclosed |