Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 16/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL5889233 | 0.89 | KDR (0.47) | KDRCYP11B2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5889027 | 0.89 | KDR (0.47) | KDRCYP11B2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5889112 | 0.81 | KDR (0.69) | KDR | |
| SCHEMBL5889031 | 0.76 | KDR (0.44) | KDR | |
| SCHEMBL5889026 | 0.76 | KDR (0.44) | KDR | |
| SCHEMBL5889124 | 0.76 | KDR (0.69) | KDRCYP11B2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5889024 | 0.75 | KDR (0.54) | KDRAURKA | |
| SCHEMBL5889195 | 0.70 | KDR (0.72) | KDR | |
| SCHEMBL5889115 | 0.69 | KDR (0.65) | KDRAURKA | |
| SCHEMBL5889238 | 0.69 | KDR (0.68) | KDR |
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-7115597-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2006-10-03 | — | — | US | disclosed |