Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 3/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL20870315 | 0.83 | GRM5 (0.48) | GRM5KCNH2ALDH1A1GAAMAPT | |
| SCHEMBL14358239 | 0.77 | GRM5 (0.48) | GRM5ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL14476025 | 0.77 | GRM5 (0.48) | GRM5ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL12807108 | 0.77 | KCNH2 (0.42) | GRM5KCNH2ALDH1A1GAAMAPT | |
| SCHEMBL1825851 | 0.75 | KCNH2 (0.41) | KCNH2 | |
| SCHEMBL1827208 | 0.75 | KCNH2 (0.34) | KCNH2 | |
| SCHEMBL1823715 | 0.73 | KCNH2 (0.35) | KCNH2ITGAVITGB3ITGB6 | |
| SCHEMBL8172614 | 0.72 | ITGAV (0.38) | GRM5KCNH2ALDH1A1GAAMAPT | |
| SCHEMBL852827 | 0.72 | GRM5 (0.51) | GRM5ALDH1A1GAAMAPTHSD17B10 | |
| SCHEMBL4071659 | 0.71 | PTGS2 (0.36) | GRM5ALDH1A1ITGAVITGB3ITGB6 |
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-2493888-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |