Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 12/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.55 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033949 | 0.91 | CYP3A4 (0.43) | CYP17A1CYP3A4SIRT2 | |
| SCHEMBL1414920 | 0.89 | CYP3A4 (0.42) | CYP17A1CYP3A4SIRT2 | |
| SCHEMBL4025489 | 0.89 | CYP3A4 (0.42) | CYP17A1CYP3A4SIRT2 | |
| SCHEMBL4031099 | 0.89 | CYP17A1 (0.52) | CYP17A1CYP3A4SIRT2ACSS2 | |
| SCHEMBL4029531 | 0.87 | CYP17A1 (0.56) | CYP17A1CYP3A4SIRT2ACSS2 | |
| SCHEMBL4023981 | 0.85 | CYP17A1 (0.42) | CYP17A1CYP3A4SIRT2ACSS2 | |
| SCHEMBL7266948 | 0.84 | CYP17A1 (0.56) | CYP17A1CYP3A4SIRT2ACSS2 | |
| SCHEMBL1414954 | 0.84 | CYP3A4 (0.39) | CYP17A1CYP3A4SIRT2 | |
| SCHEMBL4026360 | 0.83 | CYP3A4 (0.42) | CYP17A1CYP3A4SIRT2ACSS2 | |
| SCHEMBL5750054 | 0.83 | CYP3A4 (0.49) | CYP17A1CYP3A4SIRT2 |
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 |