Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | FABP2 | P12104 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL5691057 | 0.89 | CYP17A1 (0.43) | CYP17A1CYP3A4ENPP2RORCSIRT2 | |
| SCHEMBL5688995 | 0.88 | CYP17A1 (0.52) | CYP17A1CYP3A4ENPP2RORCSIRT2 | |
| SCHEMBL5688667 | 0.84 | CYP17A1 (0.40) | CYP17A1CYP3A4ENPP2RORCCNR1 | |
| SCHEMBL5689011 | 0.82 | CYP3A4 (0.39) | CYP17A1CYP3A4ENPP2HSD11B1RORC | |
| SCHEMBL5689004 | 0.81 | CYP17A1 (0.44) | CYP17A1CYP3A4ENPP2RORCCYP2C9 | |
| SCHEMBL5688671 | 0.81 | CYP17A1 (0.44) | CYP17A1CYP3A4RORC | |
| SCHEMBL5688233 | 0.81 | CYP3A4 (0.48) | CYP17A1CYP3A4ENPP2RORCSIRT2 | |
| SCHEMBL5688405 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP3A4ENPP2RORCSIRT2 | |
| SCHEMBL5690900 | 0.81 | CYP17A1 (0.37) | CYP17A1CYP3A4RORCSIRT2 | |
| SCHEMBL5691085 | 0.80 | CYP17A1 (0.37) | CYP17A1CYP3A4ENPP2HSD11B1RORC |
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 |