Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | FLT1 | P17948 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986016 | 0.90 | KDR (0.46) | KDRMAPTADORA3FLT1ADORA1 | |
| SCHEMBL7980284 | 0.89 | KDR (0.51) | KDRMAPTCCNE2CCNE1CDK2 | |
| SCHEMBL7969458 | 0.88 | KDR (0.46) | KDRMAPTHSP90AA1HSP90AB1ADORA3 | |
| SCHEMBL7986529 | 0.88 | KDR (0.44) | KDRMAPTHSP90AA1FLT1KIT | |
| SCHEMBL7982881 | 0.87 | ADCY1 (0.50) | KDRABCG2MAPTCCNE2CCNE1 | |
| SCHEMBL7969516 | 0.84 | KDR (0.44) | KDRABCG2MAPTADORA3FLT1 | |
| SCHEMBL7746570 | 0.79 | KDR (0.49) | KDRABCG2FLT1KITFLT4 | |
| SCHEMBL7982719 | 0.79 | KDR (0.53) | KDRMAPTCCNE2CCNE1CDK2 | |
| SCHEMBL7979692 | 0.79 | KDR (0.54) | KDRADORA3FLT1ADORA1FLT4 | |
| SCHEMBL7982851 | 0.78 | KDR (0.52) | KDRMAPTADORA3FLT1ADORA1 |
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-6228871-B1 | THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY | MERCK & CO., INC. | 2001-05-08 | — | — | US | claimed |