Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9198545 | 0.91 | CYP17A1 (0.52) | CYP17A1CYP19A1ADRB2TSHR | |
| SCHEMBL9192600 | 0.88 | CYP17A1 (0.52) | CYP17A1CYP19A1CYP3A4ADRB2TSHR | |
| SCHEMBL9663469 | 0.82 | CYP17A1 (0.59) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL9190551 | 0.82 | CYP19A1 (0.50) | CYP17A1CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL9191682 | 0.79 | CYP19A1 (0.62) | CYP17A1CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL12049974 | 0.78 | CYP19A1 (0.50) | CYP17A1CYP19A1 | |
| SCHEMBL10477336 | 0.78 | CYP19A1 (0.61) | CYP17A1CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL12311722 | 0.77 | CYP17A1 (0.51) | CYP17A1CYP19A1 | |
| SCHEMBL9196654 | 0.76 | CYP17A1 (0.44) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL9235863 | 0.75 | CYP19A1 (0.55) | CYP17A1CYP19A1CYP3A4CYP11B1CYP11B2 |
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 4 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 |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |