Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10389587 | 0.80 | CDK2 (0.30) | — | |
| SCHEMBL21719227 | 0.80 | AR (0.32) | AR | |
| SCHEMBL19726945 | 0.74 | CYP11B2 (0.33) | CYP11B2 | |
| SCHEMBL24922042 | 0.73 | CYP11B2 (0.36) | CYP11B2 | |
| SCHEMBL22858658 | 0.71 | CYP11B2 (0.34) | CYP11B2 | |
| SCHEMBL10575709 | 0.68 | CYP19A1 (0.36) | CNR2 | |
| SCHEMBL18522956 | 0.65 | CNR2 (0.39) | CNR2 | |
| SCHEMBL9854830 | 0.65 | CNR1 (0.31) | CNR2 | |
| SCHEMBL21286387 | 0.64 | HRH3 (0.38) | CYP11B2 | |
| SCHEMBL21719394 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4975112-A | STEREOISOMERS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1990-12-04 | — | — | US | disclosed |
| EP-0296722-A1 | Pyrazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-28 | — | — | EP | disclosed |