Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 7/20 | 0.45 |
| ▸ | ACSS2 | Q9NR19 | 5/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HPGDS | O60760 | 2/20 | 0.40 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.40 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033675 | 0.97 | ACSS2 (0.44) | DRD4ACSS2CYP17A1CYP3A4SLC6A12 | |
| SCHEMBL4203748 | 0.97 | ACSS2 (0.46) | DRD4ACSS2CYP17A1CYP3A4SLC6A12 | |
| SCHEMBL4026165 | 0.96 | ACSS2 (0.44) | DRD4ACSS2CYP17A1CYP3A4HPGDS | |
| SCHEMBL4025454 | 0.96 | ACSS2 (0.44) | DRD4ACSS2CYP17A1CYP3A4HPGDS | |
| SCHEMBL4031099 | 0.88 | CYP17A1 (0.52) | ACSS2CYP17A1CYP3A4 | |
| SCHEMBL4026360 | 0.88 | CYP3A4 (0.42) | ACSS2CYP17A1CYP3A4 | |
| SCHEMBL4027411 | 0.87 | CYP3A4 (0.53) | ACSS2CYP17A1CYP3A4HPGDS | |
| SCHEMBL4025710 | 0.87 | HDAC3 (0.43) | ACSS2CYP17A1CYP3A4 | |
| SCHEMBL5688655 | 0.86 | CYP17A1 (0.44) | DRD4ACSS2CYP17A1CYP3A4TTK | |
| SCHEMBL5750054 | 0.86 | CYP3A4 (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 |