Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.42 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7781030 | 0.95 | PDE5A (0.48) | CTSKPDE5APDE4APDE4BPDE4C | |
| SCHEMBL7783054 | 0.89 | PDE5A (0.42) | CTSKPDE5APDE4APDE4BPDE4C | |
| SCHEMBL5860525 | 0.89 | PDE5A (0.42) | CTSKPDE5APDE4APDE4BPDE4C | |
| SCHEMBL7781023 | 0.88 | PDE5A (0.43) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7781884 | 0.88 | PDE4A (0.41) | CTSKPDE5APDE4APDE4BPDE4C | |
| SCHEMBL7776481 | 0.85 | PDE5A (0.43) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7783062 | 0.84 | CTSK (0.50) | CTSKPDE5APDE4APDE4BPDE4C | |
| SCHEMBL7776470 | 0.82 | PDE5A (0.48) | PDE5APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7356240 | 0.82 | ALDH1A1 (0.47) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL7776478 | 0.81 | HPGD (0.37) | CTSKPDE5APDE4APDE4BPDE4C |
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-0775141-B1 | PHENYL XANTHINE DERIVATIVES | WELLCOME FOUND (GB) | 2001-09-26 | — | — | EP | disclosed |
| US-5776940-A | COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY AND ANTIALLERGENS | GLAXO WELLCOME INC. (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0775141-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996004280-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |