Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6058966 | 0.95 | CYP17A1 (0.41) | CYP17A1GRIN2BNAMPTHDAC1POLB | |
| SCHEMBL6058813 | 0.89 | GRIN2B (0.42) | GRIN2BHDAC1PPARGBCL2KDM4E | |
| SCHEMBL6058970 | 0.89 | GRIN2B (0.38) | CYP17A1GRIN2BNAMPTHDAC1BCL2 | |
| SCHEMBL6059235 | 0.88 | PTGER1 (0.39) | CYP17A1GRIN2BNAMPTHDAC1POLB | |
| SCHEMBL6059026 | 0.86 | GRIN2B (0.37) | CYP17A1GRIN2BNAMPTHDAC1POLB | |
| SCHEMBL6059833 | 0.85 | GRIN2B (0.40) | CYP17A1GRIN2BHDAC1BCL2MAPK1 | |
| SCHEMBL6059207 | 0.85 | GRIN2B (0.43) | GRIN2BHDAC1POLBBCL2KDM4E | |
| SCHEMBL6058763 | 0.84 | CYP17A1 (0.39) | CYP17A1GRIN2BNAMPTHDAC1POLB | |
| SCHEMBL6058752 | 0.83 | GRIN2B (0.41) | CYP17A1GRIN2BHDAC1BCL2MAPK1 | |
| SCHEMBL6058911 | 0.83 | CYP17A1 (0.38) | CYP17A1GRIN2BNAMPTHDAC1POLB |
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-7071175-B1 | Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors | ASTRAZENECA AB (SE) | 2006-07-04 | — | — | US | disclosed |
| EP-1180098-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000066557-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-11-09 | — | — | WO | disclosed |