Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9604572 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL12410753 | 0.75 | PI4KA (0.60) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL22402771 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL12498653 | 0.75 | CYP1A2 (0.78) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL22399527 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL22399280 | 0.74 | CYP1A2 (0.76) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL22326756 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL14924510 | 0.71 | CYP1A2 (0.82) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL5015543 | 0.71 | CYP1A2 (0.82) | CYP1A2CYP2D6MAPK1 | |
| SCHEMBL14010562 | 0.71 | CYP1A2 (0.46) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1992011276-A1 | NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1992-07-09 | — | — | WO | disclosed |