Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKN1 | Q16512 | 1/20 | 0.40 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 13/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9190605 | 0.93 | CYP26A1 (0.39) | CYP26A1CYP3A4CYP17A1ALDH1A1GAA | |
| SCHEMBL9192257 | 0.81 | KDM4E (0.44) | CYP26A1CYP3A4CYP17A1 | |
| SCHEMBL9191072 | 0.80 | CYP17A1 (0.42) | CYP26A1CYP3A4CYP17A1ALDH1A1HPGD | |
| SCHEMBL9728123 | 0.79 | CYP17A1 (0.45) | CYP26A1CYP3A4CYP17A1KMT2A | |
| SCHEMBL9197966 | 0.79 | CYP17A1 (0.46) | CYP26A1CYP3A4CYP17A1 | |
| SCHEMBL9192629 | 0.79 | CYP17A1 (0.43) | CYP26A1CYP3A4CYP17A1 | |
| SCHEMBL6377630 | 0.76 | ALDH1A1 (0.51) | PKN1PKN2CYP3A4ALDH1A1GAA | |
| SCHEMBL9190861 | 0.76 | CYP17A1 (0.56) | CYP26A1CYP3A4CYP17A1ALDH1A1HPGD | |
| SCHEMBL9196124 | 0.75 | HPGD (0.50) | CYP26A1CYP3A4CYP17A1HPGD | |
| SCHEMBL1263076 | 0.73 | KDM4E (0.44) | CYP26A1CYP3A4CYP17A1 |
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 9 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-1106004-A | A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-08-02 | — | — | 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 |
| 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 |
| CN-1042912-A | (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-06-13 | — | — | CN | disclosed |
| EP-0371564-A2 | (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-06-06 | — | — | EP | disclosed |