Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25067255 | 0.80 | KDM4E (0.45) | CYP17A1CYP19A1CYP26A1KDM4E | |
| SCHEMBL7919749 | 0.79 | CYP17A1 (0.49) | CYP17A1CYP19A1 | |
| SCHEMBL28147170 | 0.78 | — | — | |
| SCHEMBL2990565 | 0.77 | — | — | |
| SCHEMBL27657529 | 0.77 | CYP17A1 (0.38) | CYP17A1CYP19A1CYP26A1KDM4E | |
| SCHEMBL28057897 | 0.74 | — | — | |
| SCHEMBL9133756 | 0.71 | CYP19A1 (0.42) | CYP17A1CYP19A1CYP26A1 | |
| SCHEMBL16163611 | 0.69 | CYP17A1 (0.49) | CYP17A1CYP19A1 | |
| SCHEMBL20800089 | 0.69 | CYP17A1 (0.49) | CYP17A1CYP19A1CYP26A1KDM4E | |
| SCHEMBL6268997 | 0.69 | — | — |
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-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | disclosed |