Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 4/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1292978 | 0.84 | ADORA2A (0.42) | ADORA2AADORA2BALDH1A1POLBTSHR | |
| SCHEMBL21960382 | 0.80 | CNR1 (0.38) | ALDH1A1POLBCNR1CNR2NPC1 | |
| SCHEMBL21960923 | 0.80 | HTR2C (0.35) | ALDH1A1MAPT | |
| SCHEMBL23709235 | 0.78 | ADORA2A (0.43) | ADORA2AADORA2BALDH1A1POLBCNR1 | |
| SCHEMBL1292950 | 0.78 | — | — | |
| SCHEMBL691267 | 0.77 | ADORA2B (0.42) | ADORA2AADORA2BALDH1A1POLBCNR1 | |
| SCHEMBL691318 | 0.76 | POLB (0.51) | ADORA2AADORA2BALDH1A1POLBLMNA | |
| SCHEMBL21960383 | 0.76 | ALDH1A1 (0.34) | ALDH1A1POLBLMNA | |
| SCHEMBL283910 | 0.72 | KDM4E (0.44) | ADORA2AADORA2BALDH1A1POLBCNR1 | |
| SCHEMBL13870757 | 0.71 | MTNR1A (0.38) | ADORA2AADORA2BALDH1A1POLBNPC1 |
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-2421537-A1 | PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK | GlaxoSmithKline LLC (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010062578-A1 | PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK | GLAXOSMITHKLINE LLC (US) | 2010-06-03 | — | — | WO | disclosed |