Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 8/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28377417 | 0.88 | BRAF (0.45) | BRAFRAF1CYP2C9CLCN2 | |
| SCHEMBL28381794 | 0.82 | BRAF (0.41) | BRAFRAF1CYP2C9KMT2AKDM4E | |
| SCHEMBL9930275 | 0.77 | BRAF (0.48) | BRAFRAF1CYP2C9KMT2A | |
| SCHEMBL14574656 | 0.75 | BRAF (0.46) | BRAFRAF1CYP2C9KDM4EALDH1A1 | |
| SCHEMBL14574657 | 0.75 | BRAF (0.45) | BRAFRAF1CYP2C9KDM4EALDH1A1 | |
| SCHEMBL9931343 | 0.73 | BRAF (0.43) | BRAFRAF1CYP2C9PTGES2KMT2A | |
| SCHEMBL28381570 | 0.73 | METTL3 (0.35) | BRAFRAF1CYP2C9KMT2AKDM4E | |
| SCHEMBL1462087 | 0.70 | BRAF (0.49) | BRAFRAF1CYP2C9PTGES2KCNH2 | |
| SCHEMBL913244 | 0.70 | BRAF (0.47) | BRAFRAF1CYP2C9KMT2A | |
| SCHEMBL9930125 | 0.69 | BRAF (0.49) | BRAFRAF1CYP2C9KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108349870-B | Process for the preparation of intermediates of compounds which modulate kinase activity | 正大天晴药业集团股份有限公司 | 2020-03-10 | — | — | CN | disclosed |