Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | BMX | P51813 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9192629 | 0.92 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL1263076 | 0.91 | KDM4E (0.44) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9191191 | 0.89 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9196619 | 0.84 | CYP17A1 (0.45) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9192257 | 0.82 | KDM4E (0.44) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9194639 | 0.82 | CYP19A1 (0.56) | CYP26A1CYP3A4CYP19A1 | |
| SCHEMBL9197966 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9727804 | 0.80 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9191072 | 0.80 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL7457164 | 0.80 | CYP17A1 (0.50) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 |
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-5151421-A | Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-29 | — | — | US | disclosed |
| US-5028606-A | Retinoid metabolism inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-07-02 | — | — | US | disclosed |