Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | NEK4 | P51957 | 2/20 | 0.43 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.43 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | PRKCG | P05129 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1574176 | 0.89 | CCR5 (0.58) | CCR5RPS6KA5AKT1GSK3BNEK4 | |
| SCHEMBL1574502 | 0.87 | CCR5 (0.46) | CCR5ITGB3ITGA2BF2RF11 | |
| SCHEMBL515734 | 0.81 | RECQL (0.61) | CCR5LMNAF11RECQL | |
| SCHEMBL1573549 | 0.80 | RPS6KA5 (0.45) | RPS6KA5AKT1GSK3BNEK4PRKCD | |
| SCHEMBL115980 | 0.73 | ROCK1 (0.55) | RPS6KA5AKT1GSK3BNEK4PRKCD | |
| SCHEMBL4598191 | 0.73 | ROCK1 (0.55) | RPS6KA5AKT1GSK3BNEK4PRKCD | |
| SCHEMBL4697349 | 0.73 | CCR5 (0.84) | CCR5 | |
| SCHEMBL1574310 | 0.72 | CCR5 (0.44) | CCR5RPS6KA5AKT1GSK3BNEK4 | |
| Hydrochloric Acid SCHEMBL7973435 | 0.72 | RPS6KA5 (0.54) | RPS6KA5AKT1GSK3BNEK4PRKCD | |
| SCHEMBL8652164 | 0.72 | RPS6KA5 (0.54) | RPS6KA5AKT1GSK3BNEK4PRKCD |
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-1140085-B1 | AZABICYCLOALKANES AS CCR5 MODULATORS | PHIVCO UK LTD (GB) | 2011-04-13 | — | — | EP | disclosed |