Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849229 | 0.85 | F10 (0.35) | F10PTGS2F2EGFR | |
| SCHEMBL16623569 | 0.84 | PTGS2 (0.31) | PTGS2 | |
| SCHEMBL16623601 | 0.83 | PRSS1 (0.37) | PTGS2EGFR | |
| SCHEMBL16623562 | 0.82 | LOXL2 (0.39) | F10EGFR | |
| SCHEMBL16623485 | 0.78 | PARP1 (0.37) | — | |
| SCHEMBL16623496 | 0.77 | CYP2D6 (0.42) | EGFR | |
| SCHEMBL16726656 | 0.75 | PTGS2 (0.33) | PTGS2 | |
| SCHEMBL16623511 | 0.73 | TYK2 (0.38) | — | |
| SCHEMBL17849242 | 0.73 | PTGS2 (0.34) | PTGS2EGFR | |
| SCHEMBL16623603 | 0.73 | PARP1 (0.36) | — |
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-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |