Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | PI4KA | P42356 | 3/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 4/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19917018 | 1.00 | EGFR (0.42) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL16074973 | 0.77 | RET (0.50) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL20533284 | 0.74 | EGFR (0.52) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL13593762 | 0.71 | LIMK1 (0.44) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL24499994 | 0.67 | LIMK1 (0.41) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL19917015 | 0.67 | FFAR2 (0.39) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL29012931 | 0.66 | FFAR2 (0.44) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL13019867 | 0.65 | RET (0.57) | EGFRLIMK1RETMAP4K4CYP1A2 | |
| SCHEMBL25431774 | 0.65 | PDE7A (0.35) | ADORA2AADORA2BPDE7A | |
| SCHEMBL23917274 | 0.63 | RET (0.51) | EGFRPI4KBLIMK1RETMAP4K4 |
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-3505171-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2019-07-03 | — | — | EP | disclosed |