Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.43 |
| ▸ | AKT1 | P31749 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HCK | P08631 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28789718 | 0.84 | NEK2 (0.44) | RPS6KB1AKT1ROCK2KDM1ANEK2 | |
| SCHEMBL27801034 | 0.81 | ITGB2 (0.55) | RPS6KB1AKT1NEK2ITGB2ICAM1 | |
| SCHEMBL21433961 | 0.70 | ITGB2 (0.54) | NEK2ITGB2ICAM1ITGALKMO | |
| SCHEMBL27801016 | 0.69 | KMO (0.50) | KDM1AKMOPIK3CDABL1EGFR | |
| SCHEMBL21433911 | 0.69 | ITGB2 (0.51) | RPS6KB1AKT1ITGB2ICAM1ITGAL | |
| SCHEMBL27801092 | 0.69 | ADORA3 (0.45) | KDM1AKMOABL1 | |
| SCHEMBL27821786 | 0.69 | TUBB4A (0.41) | RPS6KB1KMOSRCKDR | |
| SCHEMBL24243059 | 0.68 | KMO (0.72) | KMO | |
| SCHEMBL30459434 | 0.68 | KMO (0.72) | KMO | |
| SCHEMBL30459990 | 0.67 | KMO (0.56) | KDM1AKMO |
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 |
|---|---|---|---|---|---|---|---|
| CN-101889004-A | Protein kinase inhibitors | INGENIUM PHARMACEUTICALS GMBH | 2010-11-17 | — | — | CN | disclosed |