Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 2/20 | 0.66 |
| ▸ | HPGDS | O60760 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 8/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.53 |
| ▸ | RPS6KA5 | O75582 | 7/20 | 0.53 |
| ▸ | PRKG1 | Q13976 | 7/20 | 0.53 |
| ▸ | PKN2 | Q16513 | 7/20 | 0.53 |
| ▸ | GSK3A | P49840 | 7/20 | 0.53 |
| ▸ | AKT1 | P31749 | 6/20 | 0.53 |
| ▸ | PRKCD | Q05655 | 6/20 | 0.53 |
| ▸ | PRKG2 | Q13237 | 6/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.53 |
| ▸ | SGK2 | Q9HBY8 | 6/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2245321 | 0.89 | MMP12 (0.76) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2246054 | 0.89 | MMP12 (0.76) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2244000 | 0.88 | MMP12 (0.61) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2245606 | 0.86 | MMP12 (0.65) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL4622966 | 0.84 | MMP12 (0.63) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2249747 | 0.84 | CA2 (0.63) | MMP12CA1GSK3BROCK1CLK4 | |
| SCHEMBL2249688 | 0.83 | MMP12 (0.61) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2246505 | 0.82 | MMP12 (0.64) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2246702 | 0.82 | MMP12 (0.60) | MMP12HPGDSCA1CA12CA9 | |
| SCHEMBL2247871 | 0.82 | MMP12 (0.60) | MMP12HPGDSCA1CA12CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998965-B2 | Glutamate aggrecanase inhibitors | WYETH LLC (US) | 2011-08-16 | — | — | US | disclosed |