Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 6/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.44 |
| ▸ | CDK2 | P24941 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | INSR | P06213 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | DCAF1 | Q9Y4B6 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756565 | 0.87 | ITK (0.46) | ITKCCNE1CDK2GSK3BGAA | |
| SCHEMBL5759232 | 0.85 | ITK (0.49) | ITKCCNE1CDK2GSK3BINSR | |
| SCHEMBL5755157 | 0.85 | DCAF1 (0.45) | ITKCCNE1CDK2GSK3BBRD4 | |
| SCHEMBL5756905 | 0.83 | BRD4 (0.45) | ITKCCNE1CDK2GSK3BGAA | |
| SCHEMBL5756245 | 0.83 | DRD2 (0.59) | ITKHSD17B10 | |
| SCHEMBL5755119 | 0.83 | HSP90AA1 (0.57) | ITKCCNE1CDK2GSK3BSMN1; SMN2 | |
| SCHEMBL5753974 | 0.81 | HTR2C (0.52) | ITKKMT2AMEN1HSD17B10POLB | |
| SCHEMBL6488207 | 0.80 | ALDH1A1 (0.49) | ITKCCNE1CDK2GSK3BKMT2A | |
| SCHEMBL5752698 | 0.79 | HSP90AA1 (0.55) | ITKSMN1; SMN2LMNAHSP90AA1HSP90AB1 | |
| SCHEMBL5755243 | 0.79 | ITK (0.46) | ITKKMT2AMEN1SMN1; SMN2SYK |
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-1648884-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005005414-A2 | PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA S.P.A. (IT) | 2005-01-20 | — | — | WO | disclosed |