Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL6058748 | 0.90 | MAPT (0.34) | MAPTALDH1A1CYP17A1CYP1A2CYP2C9 | |
| SCHEMBL6058746 | 0.89 | CYP17A1 (0.36) | MAPTALDH1A1CYP17A1CYP1A2CYP2C9 | |
| SCHEMBL6058794 | 0.87 | GRIN2B (0.37) | MAPTALDH1A1CYP17A1CYP1A2CYP2C9 | |
| SCHEMBL6059388 | 0.85 | GRIN2B (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19GRIN2B | |
| SCHEMBL6058763 | 0.83 | CYP17A1 (0.39) | MAPTALDH1A1CYP17A1CYP2C9HTT | |
| SCHEMBL7381065 | 0.81 | GRIN2B (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19GRIN2B | |
| SCHEMBL6059235 | 0.81 | PTGER1 (0.39) | MAPTALDH1A1CYP17A1CYP2C9NAMPT | |
| SCHEMBL7379740 | 0.80 | MAPKAPK2 (0.32) | HDAC1MAPKAPK2 | |
| SCHEMBL6059384 | 0.79 | NAMPT (0.40) | MAPTALDH1A1CYP17A1CYP1A2CYP2C9 | |
| SCHEMBL7382852 | 0.78 | — | — |
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 |