Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 9/20 | 0.54 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4125890 | 0.78 | ITK (0.54) | ITKKDRRAB9ANPC1AURKA | |
| SCHEMBL7512781 | 0.78 | ITK (0.54) | ITKKDRRAB9ANPC1AURKA | |
| SCHEMBL4582223 | 0.76 | KDR (0.54) | ITKKDRCDK1RAB9ANPC1 | |
| SCHEMBL6487335 | 0.74 | ITK (0.49) | ITKKDRRAB9ANPC1AURKA | |
| SCHEMBL5759131 | 0.72 | ITK (0.48) | ITKKDRRAB9ANPC1CHEK1 | |
| SCHEMBL4219751 | 0.72 | ERBB2 (0.50) | KDM4EMEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL5755006 | 0.72 | ITK (0.47) | ITKKDRCDK1RAB9ANPC1 | |
| SCHEMBL144640 | 0.71 | ITK (1.00) | ITKKDRCHEK1 | |
| SCHEMBL4215656 | 0.70 | ERBB2 (0.49) | KDM4EMEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL374022 | 0.70 | RAB9A (0.74) | ITKKDRRAB9ANPC1AURKA |
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 |