Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.38 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9525014 | 0.80 | KEAP1 (0.50) | CYP19A1CYP11B1KEAP1SLC9A1HCAR3 | |
| SCHEMBL9026711 | 0.79 | CYP19A1 (0.58) | CYP19A1CYP11B1KEAP1SLC9A1HCAR3 | |
| SCHEMBL9523605 | 0.77 | CYP19A1 (0.43) | CYP19A1CYP11B1KEAP1SLC9A1HCAR3 | |
| SCHEMBL9524627 | 0.76 | CYP19A1 (0.45) | CYP19A1CYP11B1 | |
| SCHEMBL9524777 | 0.74 | HCAR3 (0.51) | KEAP1SLC9A1NPSR1HCAR3MEN1 | |
| SCHEMBL15341829 | 0.73 | CYP19A1 (0.50) | CYP19A1CYP11B1KEAP1SLC9A1NPSR1 | |
| SCHEMBL5104539 | 0.70 | ALOX5 (0.42) | L3MBTL1IDO1TDO2CYP3A4CYP2D6 | |
| SCHEMBL9524664 | 0.69 | KEAP1 (0.52) | KEAP1SLC9A1HCAR3MEN1KMT2A | |
| SCHEMBL8884360 | 0.66 | CYP19A1 (0.60) | CYP19A1CYP11B1KEAP1SLC9A1HCAR3 | |
| SCHEMBL3192611 | 0.66 | KEAP1 (0.53) | CYP19A1CYP11B1KEAP1SLC9A1HCAR3 |
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-0293978-B1 | (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-09-15 | — | — | EP | disclosed |
| US-5039677-A | Estrogen inhibitor | JANSSEN PHARMACEUTICA N.V. (CA) | 1991-08-13 | — | — | US | disclosed |
| US-4943574-A | AROMATASE INHIBITORS, ESTROGEN DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-07-24 | — | — | US | disclosed |
| EP-0293978-A2 | (1H-azol-1-ylmethyl)substituted benzotriazole derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1988-12-07 | — | — | EP | disclosed |