Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 11/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9197966 | 0.89 | CYP17A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9727804 | 0.82 | CYP17A1 (0.56) | HPGDCYP17A1CYP11B1CYP11B2CYP26A1 | |
| SCHEMBL9190605 | 0.82 | CYP26A1 (0.39) | HPGDCYP17A1CYP26A1CYP3A4 | |
| SCHEMBL9196619 | 0.80 | CYP17A1 (0.45) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL1263076 | 0.78 | KDM4E (0.44) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9728218 | 0.77 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9191191 | 0.77 | CYP17A1 (0.42) | HPGDCYP17A1CYP11B1CYP11B2CYP26A1 | |
| SCHEMBL7457164 | 0.76 | CYP17A1 (0.50) | CYP17A1CYP11B1CYP11B2CYP26A1CYP3A4 | |
| SCHEMBL9285358 | 0.75 | PKN1 (0.40) | HPGDCYP17A1CYP26A1CYP3A4 | |
| SCHEMBL9198971 | 0.75 | CYP17A1 (0.46) | CYP17A1CYP11B1CYP11B2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371564-B1 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-07-12 | — | — | EP | disclosed |
| 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 |