Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.42 |
| ▸ | PDE2A | O00408 | 4/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19431572 | 0.74 | ATR (0.40) | MAPK13GCGRMAPK12MAPK11MAPK14 | |
| SCHEMBL3423341 | 0.72 | CCNC (0.50) | PDE10APDE2ACYP1A2METAP2CCNC | |
| SCHEMBL23557736 | 0.71 | MAPK14 (0.52) | MAPK13GCGRMAPK12MAPK11MAPK14 | |
| SCHEMBL20911927 | 0.71 | AGBL2 (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21857575 | 0.70 | PDE3B (0.49) | MAPK13GCGRMAPK12MAPK11MAPK14 | |
| SCHEMBL31078141 | 0.68 | PDE1B (0.51) | — | |
| SCHEMBL14988263 | 0.68 | HSP90AB1 (0.40) | DHODH | |
| SCHEMBL20060617 | 0.68 | SMO (0.45) | DHODH | |
| SCHEMBL10033151 | 0.67 | HSP90AB1 (0.41) | DHODHTDO2 | |
| SCHEMBL19702700 | 0.67 | RPS6KA3 (0.49) | MAPK13GCGRMAPK12MAPK11MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |