Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.53 |
| ▸ | CYP17A1 | P05093 | 10/20 | 0.53 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033446 | 0.93 | CYP17A1 (0.45) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL4036889 | 0.93 | CYP17A1 (0.45) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL4031099 | 0.91 | CYP17A1 (0.52) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL4025229 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL4031717 | 0.91 | CYP3A4 (0.43) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL1414924 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP17A1ACSS2SIRT2 | |
| SCHEMBL7538777 | 0.89 | CYP17A1 (0.43) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL5750054 | 0.89 | CYP3A4 (0.49) | CYP3A4CYP17A1SIRT2 | |
| SCHEMBL4026360 | 0.89 | CYP3A4 (0.42) | CYP3A4CYP17A1ACSS2SIRT2PTPN1 | |
| SCHEMBL4024055 | 0.89 | CYP17A1 (0.55) | CYP3A4CYP17A1ACSS2SIRT2 |
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 |