Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 20/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30016918 | 1.00 | RAF1 (0.34) | RAF1BRAFKCNH2CYP3A4CYP2C9 | |
| SCHEMBL28645085 | 0.84 | RAF1 (0.32) | RAF1 | |
| SCHEMBL30016449 | 0.80 | CA1 (0.37) | RAF1 | |
| SCHEMBL28636675 | 0.80 | CA1 (0.37) | RAF1 | |
| SCHEMBL30016922 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL28636275 | 0.76 | RAF1 (0.38) | RAF1BRAFKCNH2CYP3A4CYP2C9 | |
| SCHEMBL30016638 | 0.76 | RAF1 (0.38) | RAF1BRAFKCNH2CYP3A4CYP2C9 | |
| SCHEMBL28626070 | 0.76 | RAF1 (0.44) | RAF1BRAFKCNH2CYP3A4CYP2C9 | |
| SCHEMBL30016595 | 0.76 | RAF1 (0.44) | RAF1BRAFKCNH2CYP3A4CYP2C9 | |
| SCHEMBL31430274 | 0.72 | ALDH1A1 (0.30) | — |
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-113264945-A | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |