Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31413507 | 0.85 | CYP1A2 (0.38) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7524966 | 0.85 | CYP1A2 (0.38) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11524762 | 0.74 | CYP1A2 (0.37) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28587633 | 0.74 | TDP1 (0.47) | ALDH3A1TDP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28675673 | 0.70 | ALDH1A1 (0.45) | ALDH3A1TDP1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8427237 | 0.67 | OPRM1 (0.36) | — | |
| SCHEMBL31167379 | 0.67 | CYP1A2 (0.40) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL13328412 | 0.67 | CYP1A2 (0.40) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7523573 | 0.67 | CYP1A2 (0.40) | TDP1ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10792911 | 0.63 | CYP1A2 (0.44) | TDP1ALDH1A1CYP1A2CYP3A4MEN1 |
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-4134917-A | Method for the denitrosation of organic nitrosamines | AMERICAN CYANAMID COMPANY (US) | 1979-01-16 | — | — | US | disclosed |