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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | BCL9 | O00512 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1461897 | 0.86 | ELANE (0.60) | SMN1; SMN2ELANEALDH1A1LMNAMAPT | |
| SCHEMBL82142 | 0.83 | ELANE (0.67) | ELANEALDH1A1MAPTKMT2A | |
| SCHEMBL11771781 | 0.83 | ELANE (0.67) | ELANEALDH1A1MAPTKMT2A | |
| SCHEMBL17513779 | 0.79 | GAA (0.53) | SMN1; SMN2ELANEALDH1A1LMNAMAPT | |
| SCHEMBL8816649 | 0.79 | ALDH1A1 (0.52) | SMN1; SMN2ALOX5ALDH1A1MAPTGAA | |
| SCHEMBL7365298 | 0.78 | ALDH1A1 (0.46) | SMN1; SMN2ELANEALOX5ALDH1A1LMNA | |
| SCHEMBL20377184 | 0.78 | SMN1; SMN2 (0.64) | SMN1; SMN2ALOX5ALDH1A1LMNAMAPT | |
| SCHEMBL6322393 | 0.78 | SMN1; SMN2 (0.64) | SMN1; SMN2ALOX5ALDH1A1LMNAMAPT | |
| Nitrobenzene SCHEMBL27619171 | 0.77 | ALDH1A1 (0.53) | SMN1; SMN2ALOX5ALDH1A1LMNAMAPT | |
| SCHEMBL1118843 | 0.77 | ALDH1A1 (0.50) | SMN1; SMN2ALOX5ALDH1A1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0846127-A1 | ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY | Novartis AG (CH) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997008193-A1 | ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |