Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL1414859 | 0.89 | CYP17A1 (0.36) | RORCCYP17A1SIRT2CYP3A4ESR1 | |
| SCHEMBL4026083 | 0.88 | CYP17A1 (0.44) | RORCCYP17A1SIRT2CYP3A4CYP2C8 | |
| SCHEMBL4030722 | 0.87 | RORC (0.41) | RORCCYP17A1SIRT2CYP3A4CYP2C8 | |
| SCHEMBL4023660 | 0.87 | RORC (0.38) | RORCCYP17A1SIRT2CYP3A4CYP2C8 | |
| SCHEMBL4034127 | 0.86 | CYP17A1 (0.43) | RORCCYP17A1SIRT2CYP3A4CYP2C8 | |
| SCHEMBL4030998 | 0.85 | RORC (0.36) | RORCCYP17A1SIRT2CYP3A4CYP2C9 | |
| SCHEMBL4027150 | 0.85 | CYP17A1 (0.44) | RORCCYP17A1SIRT2CYP3A4 | |
| SCHEMBL7266948 | 0.85 | CYP17A1 (0.56) | RORCCYP17A1SIRT2CYP3A4 | |
| SCHEMBL1414974 | 0.83 | CYP3A4 (0.39) | RORCCYP17A1SIRT2CYP3A4CYP2C9 | |
| SCHEMBL4027282 | 0.83 | CYP17A1 (0.40) | RORCCYP17A1SIRT2CYP3A4 |
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 |