Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9728138 | 0.79 | CYP19A1 (0.61) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL9190606 | 0.77 | CYP26A1 (0.53) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL9664795 | 0.76 | CYP19A1 (0.55) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL7463707 | 0.74 | CYP19A1 (0.60) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| Irtemazole SCHEMBL7453697 | 0.72 | CYP26A1 (0.57) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| Irtemazole SCHEMBL9717354 | 0.72 | CYP26A1 (0.57) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL9196154 | 0.71 | CYP19A1 (0.69) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL3279898 | 0.71 | CYP19A1 (0.60) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 | |
| SCHEMBL738495 | 0.71 | CYP19A1 (1.00) | CYP19A1CYP17A1MEN1NR1I2USP2 | |
| SCHEMBL9664159 | 0.71 | CYP19A1 (0.56) | CYP19A1TBXAS1PDE3BPDE3ACYP17A1 |
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 |