Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.31 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL29168074 | 0.81 | MAPK1 (0.31) | MAPK1 | |
| SCHEMBL29168294 | 0.79 | L3MBTL1 (0.30) | — | |
| SCHEMBL29168069 | 0.79 | L3MBTL1 (0.30) | — | |
| SCHEMBL29168105 | 0.77 | SLC1A3 (0.31) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL12892097 | 0.73 | — | — | |
| SCHEMBL29102325 | 0.72 | CYP2D6 (0.30) | — | |
| SCHEMBL4157579 | 0.70 | CYP2D6 (0.41) | — | |
| SCHEMBL23168321 | 0.68 | CYP2C19 (0.41) | SLC1A3SLC1A2 | |
| SCHEMBL21547341 | 0.67 | — | — | |
| SCHEMBL27450121 | 0.66 | — | — |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |