Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12410753 | 0.74 | PI4KA (0.60) | CYP1A2CYP2D6MAPK1PI4KAPI4K2B | |
| SCHEMBL12498653 | 0.68 | CYP1A2 (0.78) | CYP1A2CYP2D6MAPK1PI4KAPI4K2B | |
| SCHEMBL9604572 | 0.66 | CYP1A2 (0.69) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL9584677 | 0.66 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL8464098 | 0.65 | CYP1A2 (0.75) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL9584688 | 0.65 | CYP1A2 (0.61) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL22399280 | 0.64 | CYP1A2 (0.76) | CYP1A2CYP2D6MAPK1PI4KAPI4K2B | |
| SCHEMBL21943154 | 0.64 | ADORA2A (0.64) | CYP1A2CYP2D6MAPK1PI4KAPI4K2B | |
| SCHEMBL8464512 | 0.64 | CYP1A2 (0.73) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL8464772 | 0.64 | CYP1A2 (0.73) | CYP1A2CYP2D6MAPK1 |
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-5994361-A | ANTITUMOR, ANTICANCER AGENT | BIOCHEM PHARMA (CA) | 1999-11-30 | — | — | US | claimed |