Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.42 |
| ▸ | ITGAL | P20701 | 2/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28785974 | 0.84 | RPS6KB1 (0.43) | NEK2ITGB2ICAM1ITGALRPS6KB1 | |
| SCHEMBL27801034 | 0.82 | ITGB2 (0.55) | NEK2ITGB2ICAM1ITGALRPS6KB1 | |
| SCHEMBL21433911 | 0.78 | ITGB2 (0.51) | ITGB2ICAM1ITGALRPS6KB1AKT1 | |
| SCHEMBL21433961 | 0.77 | ITGB2 (0.54) | NEK2SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL21433974 | 0.73 | ITGB2 (0.54) | SMN1; SMN2ITGB2ICAM1ITGALRPS6KB1 | |
| SCHEMBL21434031 | 0.72 | ITGB2 (0.55) | ITGB2ICAM1ITGALRPS6KB1KDM4E | |
| SCHEMBL27801016 | 0.70 | KMO (0.50) | SMN1; SMN2ALDH1A1CYP3A4KDM1AHSD17B10 | |
| SCHEMBL21434163 | 0.70 | ITGB2 (0.55) | NEK2SMN1; SMN2ITGB2ICAM1ITGAL | |
| SCHEMBL27800969 | 0.70 | DPP4 (0.47) | NEK2ITGB2ICAM1ITGALDPP4 | |
| SCHEMBL27801092 | 0.69 | ADORA3 (0.45) | CYP1A2CYP3A4KDM1A |
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 |