Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 15/20 | 0.38 |
| ▸ | WNT1 | P04628 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | 0.94 | CYP17A1 (0.43) | CYP17A1CYP11B1CYP11B2AAK1WNT1 | |
| SCHEMBL4025275 | 0.87 | CYP17A1 (0.59) | CYP17A1CYP11B1CYP11B2AAK1DYRK1A | |
| SCHEMBL4029943 | 0.81 | SIRT2 (0.36) | — | |
| SCHEMBL4023825 | 0.79 | CYP17A1 (0.40) | CYP17A1CYP3A4 | |
| SCHEMBL4027640 | 0.79 | NMBR (0.32) | — | |
| SCHEMBL4026392 | 0.79 | — | — | |
| SCHEMBL4026834 | 0.78 | SIRT2 (0.34) | — | |
| SCHEMBL4027429 | 0.78 | ACSS2 (0.36) | — | |
| SCHEMBL4029540 | 0.78 | CYP17A1 (0.54) | CYP17A1CYP11B1CYP11B2AAK1WNT1 | |
| SCHEMBL4028297 | 0.78 | SIRT2 (0.35) | — |
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 2 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 |