Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030416 | 0.94 | CYP17A1 (0.31) | CYP17A1CYP2C8 | |
| SCHEMBL4027318 | 0.87 | MTNR1A (0.30) | — | |
| SCHEMBL4027830 | 0.87 | CYP17A1 (0.41) | CYP17A1CYP2C8CYP3A4 | |
| SCHEMBL4028828 | 0.81 | CYP17A1 (0.40) | CYP17A1CYP2C8CYP3A4 | |
| SCHEMBL4034379 | 0.81 | MTNR1A (0.30) | — | |
| SCHEMBL1414829 | 0.74 | CYP17A1 (0.58) | CYP17A1CYP2C8CYP3A4 | |
| SCHEMBL4030413 | 0.72 | NPC1 (0.32) | NPC1MAPT | |
| SCHEMBL5753491 | 0.70 | CYP17A1 (0.47) | CYP17A1KDM4ENPC1CYP3A4 | |
| SCHEMBL7266762 | 0.69 | CYP17A1 (0.42) | CYP17A1CYP3A4 | |
| SCHEMBL8128778 | 0.66 | MAOA (0.44) | KDM4ENPC1MAPTCYP3A4 |
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 |