Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CCR4 | P51679 | 14/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4321806 | 0.90 | ALDH1A1 (0.45) | ALDH1A1CCR4MTORROCK2CHEK2 | |
| SCHEMBL4314414 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CCR4MTORROCK2CHEK2 | |
| SCHEMBL4321752 | 0.86 | CCR4 (0.42) | ALDH1A1CCR4MTORROCK2CHEK2 | |
| SCHEMBL4310488 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CCR4MTORROCK2CHEK2 | |
| SCHEMBL4318911 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MTORROCK2CHEK2PRKACA | |
| SCHEMBL4315596 | 0.83 | EPHX2 (0.46) | ALDH1A1CCR4MTORMAPTNPSR1 | |
| SCHEMBL4311911 | 0.83 | CYP2D6 (0.39) | ALDH1A1MTORMAPTMKNK1 | |
| SCHEMBL4321562 | 0.81 | IGF1R (0.41) | ALDH1A1MTORMAPTMKNK1 | |
| SCHEMBL4317863 | 0.80 | DPP4 (0.42) | ALDH1A1CCR4ROCK2CHEK2PRKACA | |
| SCHEMBL4317856 | 0.79 | DPP4 (0.39) | ALDH1A1CCR4ROCK2CHEK2PRKACA |
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-1552842-A1 | BICYCLIC PYRIMIDINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2005-07-13 | — | — | EP | disclosed |