Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 16/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | WNT1 | P04628 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7533088 | 0.87 | CYP17A1 (0.43) | CYP17A1AAK1CYP11B1CYP11B2WNT1 | |
| SCHEMBL4033550 | 0.86 | CYP17A1 (0.70) | CYP17A1AAK1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL4033872 | 0.79 | CYP17A1 (0.33) | CYP17A1CYP3A4 | |
| SCHEMBL4028289 | 0.78 | CYP17A1 (0.46) | CYP17A1AAK1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL5755529 | 0.78 | CYP17A1 (0.46) | CYP17A1CYP3A4 | |
| SCHEMBL4032515 | 0.77 | CYP17A1 (0.49) | CYP17A1CYP3A4 | |
| SCHEMBL6578229 | 0.73 | CYP3A4 (0.51) | CYP17A1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL4031593 | 0.73 | CYP17A1 (0.51) | CYP17A1CYP3A4 | |
| SCHEMBL4560846 | 0.71 | CYP17A1 (0.70) | CYP17A1AAK1CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL4028348 | 0.70 | CYP17A1 (0.49) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | disclosed |
| US-6649643-B1 | Antitumor, anticarcinogenic, and antimetastasis agents; benign prostatic hyperplasia, alopecia, endometriosis, uterine myoma, hirsutism, virilism, precocious puberty, mastopathy, and polycystic overay syndrome treatment | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-18 | — | — | US | disclosed |
| EP-1222174-A1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | Takeda Chemical Industries, Ltd. (JP) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001030762-A1 | IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-03 | — | — | WO | disclosed |