Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9576681 | 0.87 | SRD5A1 (0.45) | CYP17A1ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL10900011 | 0.86 | CYP17A1 (0.50) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL28964213 | 0.85 | CYP17A1 (0.52) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL10898665 | 0.82 | CYP1A2 (0.50) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL7642376 | 0.81 | CYP17A1 (0.55) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL8160351 | 0.81 | CYP17A1 (0.57) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL19383233 | 0.81 | CYP17A1 (0.57) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL2314984 | 0.81 | SRD5A2 (0.53) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL7166658 | 0.78 | CYP17A1 (0.55) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 | |
| SCHEMBL9261363 | 0.78 | CYP17A1 (0.54) | CYP17A1CYP1A2CYP3A4HSD17B10CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5807880-A | ANTICANCER AGENTS; DISEASES OF PROSTATE GLAND, MAMMARY GLANDS; ENDOMETRIOSIS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-09-15 | — | — | US | disclosed |
| CN-1131944-A | Azole derivative and pharmachutical composition thereof | YAMANOUCHI PHARMACUETICAL CO L (JP) | 1996-09-25 | — | — | CN | disclosed |
| EP-0721943-A1 | AZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-07-17 | — | — | EP | disclosed |