Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.66 |
| ▸ | CDK1 | P06493 | 1/20 | 0.65 |
| ▸ | CDK2 | P24941 | 1/20 | 0.65 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.58 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL11861679 | 0.90 | KDR (0.57) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL6968182 | 0.80 | KDR (1.00) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL29819445 | 0.80 | KDR (1.00) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL29644972 | 0.79 | CDK1 (1.00) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL6969778 | 0.79 | CDK1 (1.00) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL15311739 | 0.78 | PDGFRB (0.58) | KDRCDK1CDK2CHEK1PDGFRB | |
| Hydrochloric Acid SCHEMBL15312449 | 0.77 | PDGFRB (0.56) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL6968969 | 0.77 | NPC1 (0.48) | KDRCDK1CDK2CHEK1LRRK2 | |
| SCHEMBL6969359 | 0.75 | KDR (0.74) | KDRCDK1CDK2CHEK1PDGFRB | |
| SCHEMBL11860279 | 0.75 | KDR (0.64) | KDRCDK1CDK2CHEK1PDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| US-3932430-A | Substituted indeno, naphtho and cyclohepta pyrazoles | SANDOZ, INC. (US) | 1976-01-13 | — | — | US | disclosed |