Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 4/20 | 0.31 |
| ▸ | HTR2A | P28223 | 4/20 | 0.31 |
| ▸ | DRD3 | P35462 | 4/20 | 0.31 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.30 |
| ▸ | VNN1 | O95497 | 1/20 | 0.30 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4034041 | 0.93 | NPC1 (0.36) | NPC1RAB9ANPSR1MAPTMTNR1A | |
| SCHEMBL4024487 | 0.81 | PRKCI (0.35) | NPC1RAB9AMAPTLTC4SCTNNB1 | |
| SCHEMBL4024232 | 0.73 | CTNNB1 (0.33) | RAB9AMAPTHTR2AIGFBP3CTNNB1 | |
| SCHEMBL4023986 | 0.72 | VNN1 (0.36) | NPC1RAB9ANPSR1MAPTDRD2 | |
| SCHEMBL5750943 | 0.72 | MEN1 (0.51) | NPC1RAB9AMAPTCHEK2IGFBP3 | |
| SCHEMBL4033868 | 0.72 | CYP17A1 (0.32) | NPC1MAPT | |
| SCHEMBL5752322 | 0.69 | L3MBTL1 (0.41) | RAB9AIGFBP3TSHR | |
| SCHEMBL4027318 | 0.69 | MTNR1A (0.30) | MTNR1AMTNR1B | |
| SCHEMBL4027830 | 0.69 | CYP17A1 (0.41) | — | |
| SCHEMBL5678286 | 0.68 | KDM4E (0.53) | NPC1NPSR1MAPT |
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 |