Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (2-Nitrovinyl)Benzene. 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 | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 13/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CCR6 | P51684 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.55 |
| ▸ | TLR4 | O00206 | 4/20 | 0.54 |
| ▸ | TLR2 | O60603 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| (2-Nitrovinyl)Benzene SCHEMBL5514329 | 0.85 | FBP1 (0.84) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL28065845 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL18132133 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL1226359 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL19088017 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL30591 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL1226357 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL30590 | 0.85 | FBP1 (1.00) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| (2-Nitrovinyl)Benzene SCHEMBL28758634 | 0.83 | FBP1 (0.88) | FBP1ALDH1A1LMNAMEN1KMT2A | |
| Hexamethylbenzene SCHEMBL29275075 | 0.82 | FBP1 (0.84) | FBP1ALDH1A1LMNAMEN1KMT2A |
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-5847032-A | Sulfo-pendent aryletherketone copolymers film containing NLO chromophore | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1998-12-08 | — | — | US | claimed |
| US-5847032-A | Sulfo-pendent aryletherketone copolymers film containing NLO chromophore | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 1998-12-08 | — | — | US | disclosed |