Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 19/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030366 | 0.89 | CYP17A1 (0.68) | CYP17A1CYP3A4CYP2C8 | |
| SCHEMBL4023987 | 0.88 | CYP17A1 (0.52) | CYP17A1CYP3A4CYP2C8 | |
| SCHEMBL4024772 | 0.87 | CYP17A1 (0.51) | CYP17A1CYP3A4 | |
| SCHEMBL4030338 | 0.85 | CYP17A1 (0.67) | CYP17A1CYP3A4 | |
| SCHEMBL4030837 | 0.84 | CYP17A1 (0.48) | CYP17A1CYP3A4CYP2C8 | |
| SCHEMBL4025340 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL7537443 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL7537438 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL4025212 | 0.82 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL4027111 | 0.82 | CYP17A1 (0.46) | 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 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 |