Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7685585 | 0.94 | TP53 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7678270 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL7689982 | 0.87 | — | — | |
| SCHEMBL7687706 | 0.78 | CYP2C19 (0.36) | CYP1A2CYP2D6CYP2C9MAPK1CYP2C19 | |
| SCHEMBL7686912 | 0.75 | CYP2C9 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7686643 | 0.75 | CYP2C9 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7680868 | 0.75 | CYP2C9 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7687493 | 0.75 | CYP2C9 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7682646 | 0.75 | CYP2C9 (0.39) | TP53CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7680934 | 0.73 | TP53 (0.40) | TP53CYP1A2CYP2D6MAPTCYP2C9 |
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-5534636-A | ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES | HOECHST ROUSSEL PHARMACEUTICALS INC. (US) | 1996-07-09 | — | — | US | disclosed |