Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9784390 | 0.84 | CYP17A1 (0.55) | CYP17A1RAB9A | |
| SCHEMBL9784342 | 0.84 | CYP17A1 (0.64) | CYP17A1CYP3A4 | |
| SCHEMBL9788661 | 0.83 | CYP17A1 (0.63) | CYP17A1KDM4E | |
| Hydrochloric Acid SCHEMBL9996065 | 0.83 | CYP17A1 (0.78) | CYP17A1CYP3A4 | |
| SCHEMBL9784396 | 0.83 | CYP24A1 (0.56) | CYP17A1KMT2A | |
| SCHEMBL9784409 | 0.82 | CYP17A1 (0.67) | CYP17A1 | |
| SCHEMBL2351781 | 0.81 | CYP17A1 (0.60) | CYP17A1CYP3A4 | |
| SCHEMBL9784371 | 0.81 | CYP17A1 (0.62) | CYP17A1CYP3A4 | |
| SCHEMBL9784330 | 0.81 | CYP17A1 (0.62) | CYP17A1CYP3A4 | |
| SCHEMBL9784380 | 0.80 | CYP17A1 (0.68) | CYP17A1CYP3A4 |
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 7 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 |
| CN-1106005-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | disclosed |
| CN-1106004-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | CN | 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 |
| CN-1042912-A | (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-06-13 | — | — | CN | disclosed |