Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 6/20 | 0.64 |
| ▸ | PRKCI | P41743 | 5/20 | 0.51 |
| ▸ | IKBKB | O14920 | 3/20 | 0.50 |
| ▸ | CHUK | O15111 | 3/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.50 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | PAK4 | O96013 | 1/20 | 0.50 |
| ▸ | CSF1R | P07333 | 1/20 | 0.50 |
| ▸ | RET | P07949 | 1/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | PRKACA | P17612 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
| ▸ | LTK | P29376 | 1/20 | 0.50 |
| ▸ | GRK5 | P34947 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14494761 | 0.82 | NUDT1 (0.64) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL1842617 | 0.78 | PDPK1 (0.56) | ROCK1DAPK3PRKD3MAP4K4PAK4 | |
| SCHEMBL1717982 | 0.77 | NUDT1 (0.62) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL1719613 | 0.76 | NUDT1 (0.57) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL98272 | 0.76 | ROCK1 (0.62) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL2240671 | 0.76 | AURKB (0.71) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL1719341 | 0.76 | PRKCI (0.63) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL22160800 | 0.75 | BRAF (0.57) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL2239087 | 0.75 | IKBKB (0.61) | NUDT1PRKCIIKBKBCHUKAURKB | |
| SCHEMBL1838740 | 0.75 | CDK5 (0.64) | NUDT1PRKCIIKBKBCHUKAURKB |
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-1881983-B1 | PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE | VERTEX PHARMA (US) | 2012-01-11 | — | — | EP | disclosed |