Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 6/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6059214 | 0.87 | LCK (0.39) | LCKPI4KBCYP17A1SCN9AGSK3B | |
| SCHEMBL3888187 | 0.87 | LCK (0.39) | LCKPI4KBCYP17A1SCN9AGSK3B | |
| Tetrabuthylammonium SCHEMBL7417664 | 0.87 | PI4KB (0.35) | LCKPI4KBSCN9APTGDR2 | |
| SCHEMBL6469040 | 0.82 | LCK (0.46) | LCKCYP17A1SCN9AGSK3BDYRK1A | |
| SCHEMBL6059110 | 0.82 | BACE1 (0.37) | LCKCYP17A1SCN9AMEN1NPC1 | |
| SCHEMBL6059133 | 0.81 | ALDH1A1 (0.36) | LCKCYP17A1SCN9APTGER1CYP2C9 | |
| SCHEMBL21584977 | 0.81 | LCK (0.42) | LCKCYP17A1SCN9AMEN1NPC1 | |
| SCHEMBL3932619 | 0.81 | L3MBTL1 (0.42) | PI4KBMEN1NPC1GAARAB9A | |
| SCHEMBL29112758 | 0.80 | CNR2 (0.41) | LCKCYP17A1SCN9AGSK3BDYRK1A | |
| SCHEMBL6999990 | 0.80 | MAPKAPK2 (0.38) | LCKCYP17A1SCN9AMEN1NPC1 |
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 |