Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9684115 | 0.83 | GAA (0.36) | CYP3A4DDR1 | |
| SCHEMBL9582080 | 0.75 | GABRA2 (0.33) | CYP1A2CYP3A4DDR1 | |
| SCHEMBL9723092 | 0.70 | GABRA2 (0.40) | CYP3A4 | |
| SCHEMBL9593448 | 0.70 | DDR1 (0.37) | DDR1 | |
| SCHEMBL9339495 | 0.68 | GABRA2 (0.40) | DDR1 | |
| SCHEMBL9723046 | 0.68 | GABRB3 (0.39) | DDR1 | |
| SCHEMBL9580912 | 0.67 | GAA (0.36) | CYP1A2CYP3A4DDR1 | |
| SCHEMBL9723062 | 0.67 | CYP3A4 (0.42) | CYP1A2CYP3A4 | |
| SCHEMBL9343928 | 0.66 | ACHE (0.36) | DDR1 | |
| SCHEMBL9723065 | 0.66 | TDP1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0481604-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-22 | — | — | EP | disclosed |