Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 15/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027830 | 0.94 | CYP17A1 (0.41) | CYP17A1CYP2C8CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4030416 | 0.88 | CYP17A1 (0.31) | CYP17A1CYP2C8 | |
| SCHEMBL4034379 | 0.84 | MTNR1A (0.30) | HTR2AHTR2CHTR2BHTR1AADRA2A | |
| SCHEMBL4033868 | 0.81 | CYP17A1 (0.32) | CYP17A1CYP2C8CYP3A4 | |
| SCHEMBL7266762 | 0.79 | CYP17A1 (0.42) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4027318 | 0.78 | MTNR1A (0.30) | — | |
| SCHEMBL4027121 | 0.77 | CYP3A4 (0.45) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1415018 | 0.75 | CYP17A1 (0.68) | CYP17A1CYP2C8CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1414930 | 0.74 | CYP17A1 (0.70) | CYP17A1CYP2C8CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4028482 | 0.74 | CYP17A1 (0.37) | CYP17A1CYP2C8CYP3A4CYP2C9CYP2C19 |
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 |