Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAPDH | P04406 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | TEK | Q02763 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135030 | 0.92 | GAPDH (0.42) | GAPDHADORA2AKDRCES2CES1 | |
| SCHEMBL5137117 | 0.89 | MAP4K4 (0.40) | GAPDHADORA2AKDRCES2CES1 | |
| SCHEMBL5134739 | 0.84 | MAP4K4 (0.40) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5135022 | 0.78 | ADORA2A (0.44) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5135297 | 0.72 | APAF1 (0.43) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5664809 | 0.72 | LDHA (0.40) | ADORA2AKDRPI4KAPI4K2BPI4K2A | |
| SCHEMBL5135024 | 0.72 | ADORA2A (0.43) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5135369 | 0.71 | CES1 (0.48) | ADORA2AKDRCES1NPC1RAB9A | |
| SCHEMBL15347068 | 0.68 | ADORA2A (0.71) | ADORA2AKDRTEKNPC1TSHR | |
| Diphenylether SCHEMBL28400784 | 0.68 | PI4KA (0.75) | ADORA2AKDRTEKPI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| US-20080268460-A1 | Assays to Identify Irreversibly Binding Inhibitors of Receptor Tyrosine Kinases | WYETH (US) | 2008-10-30 | — | — | US | disclosed |