Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CPT1A | P50416 | 1/20 | 0.36 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5688374 | 0.87 | CYP17A1 (0.63) | CYP17A1CYP3A4SMN1; SMN2 | |
| SCHEMBL5689213 | 0.86 | CYP17A1 (0.48) | CYP17A1CYP3A4IDO1DDR2TDO2 | |
| SCHEMBL5688618 | 0.85 | CYP17A1 (0.46) | CYP17A1CYP3A4CPT1A | |
| SCHEMBL5689340 | 0.83 | CYP17A1 (0.47) | CYP17A1CYP3A4RORC | |
| SCHEMBL29478298 | 0.82 | CYP17A1 (0.66) | CYP17A1CYP3A4 | |
| SCHEMBL5688564 | 0.82 | CYP17A1 (0.66) | CYP17A1CYP3A4 | |
| SCHEMBL7563594 | 0.82 | CYP17A1 (0.66) | CYP17A1CYP3A4 | |
| SCHEMBL5689065 | 0.82 | CYP17A1 (0.48) | CYP17A1CYP3A4DYRK1AMEN1ALDH1A1 | |
| SCHEMBL5690714 | 0.81 | CYP17A1 (0.49) | CYP17A1CYP3A4KIF11 | |
| SCHEMBL5689388 | 0.81 | CYP17A1 (0.39) | CYP17A1CYP3A4TDO2RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1227086-B1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-03-29 | — | — | EP | disclosed |
| US-6518257-B1 | 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| EP-1227086-A1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |