Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL12807110 | 0.78 | KCNH2 (0.34) | KCNH2NOS2KMT2ASMN1; SMN2PPARA | |
| SCHEMBL1825269 | 0.75 | GRM5 (0.43) | KCNH2 | |
| SCHEMBL1823715 | 0.71 | KCNH2 (0.35) | KCNH2 | |
| SCHEMBL12807108 | 0.67 | KCNH2 (0.42) | KCNH2 | |
| SCHEMBL22412192 | 0.64 | PDE4A (0.43) | — | |
| SCHEMBL23022282 | 0.63 | ADRA2A (0.39) | MAP4K1 | |
| SCHEMBL1187650 | 0.63 | KCNH2 (0.52) | KCNH2NOS2 | |
| SCHEMBL1188222 | 0.63 | NOS2 (0.66) | KCNH2NOS2 | |
| SCHEMBL7701413 | 0.62 | KCNH2 (0.47) | KCNH2NOS2PPARAPDPK1 | |
| SCHEMBL1187029 | 0.62 | KCNH2 (0.55) | KCNH2NOS2PPARA |
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 |