Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11696482 | 0.88 | TSHR (0.50) | TSHRPOLBALOX15LMNAALDH1A1 | |
| SCHEMBL691352 | 0.83 | — | — | |
| SCHEMBL27639661 | 0.82 | TSHR (0.51) | TSHRPOLBALOX15NPC1LMNA | |
| SCHEMBL5159269 | 0.81 | POLB (0.40) | TSHRPOLBADORA2AADORA2BDRD4 | |
| Bromide SCHEMBL5382898 | 0.79 | POLB (0.39) | TSHRPOLBADORA2AADORA2BDRD4 | |
| SCHEMBL13990275 | 0.78 | POLB (0.53) | TSHRPOLBADORA2AADORA2BDRD4 | |
| SCHEMBL24231317 | 0.75 | POLB (0.42) | TSHRPOLBADORA2AADORA2BDRD4 | |
| SCHEMBL23403614 | 0.75 | POLB (0.46) | TSHRPOLBADORA2AADORA2BDRD4 | |
| SCHEMBL26692287 | 0.75 | POLB (0.42) | TSHRPOLBADORA2AADORA2BDRD4 | |
| SCHEMBL15651754 | 0.75 | POLB (0.50) | TSHRPOLBADORA2AADORA2BDRD4 |
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 |