Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.51 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.51 |
| ▸ | AKT1 | P31749 | 2/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | NEK4 | P51957 | 2/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.51 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.51 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.51 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.51 |
| ▸ | PRKCG | P05129 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5566260 | 0.85 | OPRK1 (0.47) | ROCK1ROCK2UTS2RF10F2 | |
| SCHEMBL5569540 | 0.83 | CTRB1 (0.44) | ROCK1RPS6KA5GSK3BPRKG1PKN2 | |
| SCHEMBL5570744 | 0.82 | F10 (0.48) | F10F2 | |
| SCHEMBL5569536 | 0.81 | HPGDS (0.51) | ROCK2 | |
| SCHEMBL5567062 | 0.80 | F10 (0.46) | F10F2 | |
| SCHEMBL5570947 | 0.78 | HTT (0.51) | ROCK1ROCK2UTS2RF10F2 | |
| SCHEMBL5570741 | 0.77 | F10 (0.48) | F10F2 | |
| SCHEMBL5567060 | 0.76 | F10 (0.46) | F10F2 | |
| SCHEMBL5570726 | 0.76 | F10 (0.50) | F10F2KDM4E | |
| SCHEMBL9848486 | 0.75 | RPS6KA5 (0.71) | ROCK1RPS6KA5AKT1GSK3BNEK4 |
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-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |