Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9103871 | 0.76 | PDPK1 (0.44) | PTGS1ROCK1TSHRPDPK1 | |
| SCHEMBL2805091 | 0.74 | PTGS1 (0.46) | PTGS1TSHR | |
| SCHEMBL15545617 | 0.73 | NOS2 (0.38) | ROCK2ROCK1MAPK1 | |
| SCHEMBL12319279 | 0.71 | PLK1 (0.39) | PTGS1ROCK2TSHR | |
| SCHEMBL3979828 | 0.71 | ATM (0.49) | PTGS1TSHRMAPK1 | |
| SCHEMBL2896682 | 0.71 | KDM4E (0.47) | PTGS1 | |
| SCHEMBL2903920 | 0.70 | MEN1 (0.40) | RORC | |
| SCHEMBL26334621 | 0.68 | PTGS1 (0.39) | PTGS1ROCK2ROCK1 | |
| SCHEMBL2890808 | 0.68 | CYP2C19 (0.53) | MAPK1 | |
| SCHEMBL26346889 | 0.68 | XDH (0.44) | ROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027120-A2 | MGLUR5 MODULATORS I | AstraZeneca AB (SE) | 2009-02-25 | — | — | EP | claimed |
| WO-2007130820-A2 | MGLUR5 MODULATORS I | ASTRAZENECA AB (SE) | 2007-11-15 | — | — | WO | claimed |