Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2204183 | 0.91 | HPGDS (0.51) | HTTHPGDSLMNAHPGDCD274 | |
| SCHEMBL12430595 | 0.85 | AURKA (0.59) | HPGDSAURKASRCGSK3BAURKB | |
| SCHEMBL7149384 | 0.84 | AURKB (0.52) | LMNAAURKASRCGSK3BAURKB | |
| SCHEMBL7143467 | 0.84 | AURKB (0.54) | LMNAHPGDSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL7152258 | 0.83 | AURKA (0.43) | AURKASRCGSK3BAURKB | |
| SCHEMBL7150403 | 0.78 | AURKA (0.60) | AURKASRCGSK3BAURKB | |
| SCHEMBL2206857 | 0.75 | AURKB (0.53) | LMNAAURKASRCGSK3BAURKB | |
| SCHEMBL2204191 | 0.75 | AURKA (0.45) | AURKASRCGSK3BAURKB | |
| SCHEMBL2202480 | 0.75 | AURKB (0.56) | LMNAHPGDSMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2203898 | 0.75 | GSK3B (0.50) | HTTSMN1; SMN2ALDH1A1AURKASRC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1345922-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-09-24 | — | — | EP | disclosed |
| EP-1345926-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002066461-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-29 | — | — | WO | disclosed |
| WO-2002059111-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-01 | — | — | WO | disclosed |