Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637942 | 0.91 | AKR1C3 (0.32) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4638484 | 0.81 | AKR1C3 (0.35) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4638086 | 0.76 | TACR1 (0.39) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4639492 | 0.76 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1 | |
| SCHEMBL4637992 | 0.73 | GRM2 (0.37) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4708145 | 0.73 | AKR1C3 (0.36) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4639425 | 0.69 | USP2 (0.35) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL18255823 | 0.66 | IDO1 (0.33) | — | |
| SCHEMBL4638930 | 0.65 | ALDH1A1 (0.38) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4706583 | 0.65 | HTT (0.36) | AKR1C3HSP90AA1HSP90AB1 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |