Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 19/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17898240 | 0.81 | CYP19A1 (0.38) | CYP19A1CYP2D6 | |
| SCHEMBL3296751 | 0.74 | CYP19A1 (1.00) | CYP19A1 | |
| Rogletimide SCHEMBL9372682 | 0.73 | CYP19A1 (1.00) | CYP19A1 | |
| Rogletimide SCHEMBL4281 | 0.73 | CYP19A1 (1.00) | CYP19A1 | |
| SCHEMBL9531145 | 0.72 | CYP19A1 (1.00) | CYP19A1 | |
| Rogletimide SCHEMBL28110686 | 0.71 | CYP19A1 (0.94) | CYP19A1 | |
| SCHEMBL10514138 | 0.70 | CYP19A1 (0.68) | CYP19A1 | |
| SCHEMBL20805215 | 0.65 | CYP19A1 (0.60) | CYP19A1 | |
| SCHEMBL171234 | 0.60 | HRH3 (0.53) | CYP19A1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL11847657 | 0.60 | ALDH1A1 (0.54) | CYP19A1ALDH1A1CYP1A2CYP2D6 |
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-20120265514-A1 | DESIGN OF MOLECULES | UNIVERSITY OF DUNDEE (GB) | 2012-10-18 | — | — | US | disclosed |