Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | GRK2 | P25098 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11892630 | 0.86 | METAP2 (0.50) | ROCK2GRK2ALDH1A1NPC1RAB9A | |
| SCHEMBL11892620 | 0.85 | DHFR (0.42) | ROCK2GRK2POLBEGFR | |
| SCHEMBL10353467 | 0.81 | CCNT1 (0.44) | PAK4NTRK1IGF1R | |
| SCHEMBL11892643 | 0.79 | CYP1A2 (0.43) | MAPK1ALDH1A1POLBNPC1RAB9A | |
| SCHEMBL11892619 | 0.79 | MAPK1 (0.40) | ROCK2GRK2MAPK1NPC1 | |
| SCHEMBL10322923 | 0.77 | FLT3 (0.46) | MAPK1ALDH1A1EGFRCYP3A4 | |
| SCHEMBL11892637 | 0.71 | RPS6KB1 (0.39) | MAPK1EGFR | |
| SCHEMBL11368822 | 0.69 | METAP2 (0.45) | ROCK2PRKCAGRK2NR1H2NR1H3 | |
| SCHEMBL6698052 | 0.69 | MAPT (0.53) | MAPK1ALDH1A1POLBNPC1RAB9A | |
| SCHEMBL1249192 | 0.69 | ALDH1A1 (0.58) | ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012098068-A1 | PYRAZOLO PYRIMIDINES AS DYRK1A AND DYRK1B INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |