Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.46 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL10580653 | 0.81 | CYP19A1 (0.51) | CYP19A1CYP26A1CYP3A4ALDH1A1MAPT | |
| SCHEMBL9198507 | 0.81 | CYP19A1 (0.47) | CYP19A1CYP26A1CYP3A4ALDH1A1MAPT | |
| SCHEMBL9728699 | 0.79 | KCNQ2 (0.41) | CYP3A4CYP2D6CYP2C9ALDH1A1MAPT | |
| SCHEMBL9235863 | 0.78 | CYP19A1 (0.55) | CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9524535 | 0.78 | CYP19A1 (0.53) | CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8917818 | 0.76 | CYP19A1 (0.55) | CYP19A1CYP26A1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL10581964 | 0.75 | CYP19A1 (0.55) | CYP19A1CYP26A1CYP3A4ALDH1A1MAPT | |
| SCHEMBL9190598 | 0.75 | CYP26A1 (0.44) | CYP19A1CYP26A1ALDH1A1MAPTPKM | |
| SCHEMBL30468324 | 0.74 | PKM (0.64) | ALDH1A1MAPTTHRBPKMPOLB | |
| SCHEMBL9652287 | 0.74 | PKM (0.64) | ALDH1A1MAPTTHRBPKMPOLB |
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 |