Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 7/20 | 0.57 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | OGA | O60502 | 5/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9192264 | 0.78 | CYP17A1 (0.49) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL9078342 | 0.78 | CYP17A1 (0.58) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL7457164 | 0.76 | CYP17A1 (0.50) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL9198992 | 0.76 | CYP11B1 (0.47) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL9198062 | 0.76 | CYP11B1 (0.47) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL9196154 | 0.75 | CYP19A1 (0.69) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL4054853 | 0.75 | CYP17A1 (0.68) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| SCHEMBL9199149 | 0.74 | CYP19A1 (0.72) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| Oxalic Acid SCHEMBL9663654 | 0.74 | CYP17A1 (0.48) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 | |
| Hydrochloric Acid SCHEMBL9079014 | 0.74 | CYP17A1 (0.48) | CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1036003-C | A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1997-10-01 | — | — | CN | disclosed |
| CN-1033752-C | (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives | JANSSEN PHARMACEUTICA NV (SE) | 1997-01-08 | — | — | CN | disclosed |
| 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 |