Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL691433 | 0.86 | ADORA2A (0.39) | ADORA2BADORA2AALDH1A1TSHRNPC1 | |
| SCHEMBL690486 | 0.77 | ADORA2A (0.46) | ADORA2BADORA2AALDH1A1TSHRNPC1 | |
| SCHEMBL691266 | 0.75 | ABL1 (0.33) | P2RX7 | |
| SCHEMBL691318 | 0.72 | POLB (0.51) | ADORA2BADORA2AALDH1A1LMNAPOLB | |
| SCHEMBL23709235 | 0.71 | ADORA2A (0.43) | ADORA2BADORA2AALDH1A1TSHRNPC1 | |
| SCHEMBL12126163 | 0.69 | ADORA2A (0.36) | ADORA2BADORA2AALDH1A1LMNAP2RX7 | |
| SCHEMBL690635 | 0.69 | ADORA2A (0.40) | ADORA2BADORA2AALDH1A1LMNAPOLB | |
| SCHEMBL21960884 | 0.69 | POLB (0.45) | ALDH1A1TSHRNPC1LMNAPOLB | |
| SCHEMBL27821973 | 0.68 | NOS2 (0.43) | ADORA2BADORA2ACNR1CNR2ESR1 | |
| SCHEMBL283910 | 0.68 | KDM4E (0.44) | ADORA2BADORA2AALDH1A1POLBCNR1 |
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 |