Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2200771 | 0.75 | AURKB (0.53) | ALDH1A1MAPTMEN1KMT2AHPGD | |
| SCHEMBL2205535 | 0.71 | AURKA (0.54) | ALDH1A1MAPTKMT2AHPGDNPSR1 | |
| SCHEMBL10961688 | 0.67 | HDAC3 (0.77) | CETPALDH1A1GAAMEN1KMT2A | |
| SCHEMBL2203359 | 0.64 | AURKB (0.75) | AURKAGSK3BAURKB | |
| SCHEMBL4535405 | 0.64 | AURKA (0.37) | AURKAAURKB | |
| SCHEMBL2204762 | 0.64 | AURKA (0.72) | AURKAGSK3BAURKB | |
| SCHEMBL13212286 | 0.64 | CETP (1.00) | CETPMEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL13715994 | 0.64 | CETP (1.00) | CETPMEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL2205413 | 0.64 | AURKB (0.54) | ALDH1A1MAPTMEN1KMT2AHTT | |
| SCHEMBL2203545 | 0.63 | AURKB (0.60) | AURKAGSK3BAURKB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1345927-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002062789-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-15 | — | — | WO | disclosed |