Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 11/20 | 0.49 |
| ▸ | BRAF | P15056 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | LIPE | Q05469 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31312305 | 1.00 | RAF1 (0.49) | RAF1BRAFCYP1A2KCNH2LIPE | |
| SCHEMBL25421239 | 0.85 | RAF1 (0.52) | RAF1BRAF | |
| SCHEMBL29536338 | 0.85 | RAF1 (0.52) | RAF1BRAF | |
| SCHEMBL31312432 | 0.83 | BACE1 (0.39) | RAF1BRAFLIPEKMT2A | |
| SCHEMBL18988941 | 0.83 | BRAF (0.50) | RAF1BRAF | |
| SCHEMBL31312382 | 0.82 | LRRK2 (0.38) | BRAFCYP1A2KCNH2 | |
| SCHEMBL31636286 | 0.81 | RAF1 (0.39) | RAF1BRAFCYP1A2KCNH2 | |
| SCHEMBL29536884 | 0.78 | BRAF (0.58) | RAF1BRAFKMT2A | |
| SCHEMBL2887561 | 0.78 | BRAF (0.58) | RAF1BRAFKMT2A | |
| SCHEMBL29071328 | 0.78 | RAF1 (0.49) | RAF1BRAFCYP1A2KCNH2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113429440-B | Prodrug of spiro compound, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-113429440-A | Prodrug of spiro compound, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2021-09-24 | — | — | CN | disclosed |