Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 15/20 | 0.53 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | MAP3K6 | O95382 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28658681 | 0.88 | TLR2 (0.44) | MAP3K5TLR2TLR1RIPK2ALDH1A1 | |
| SCHEMBL28649133 | 0.87 | MAP3K5 (0.44) | MAP3K5TLR2TLR1ALDH1A1GRM5 | |
| SCHEMBL28654034 | 0.87 | MAP3K5 (0.48) | MAP3K5TLR2TLR1GRM5GRM1 | |
| SCHEMBL28649418 | 0.86 | MAP3K5 (0.53) | MAP3K5RIPK2 | |
| SCHEMBL28643374 | 0.85 | MAP3K5 (0.52) | MAP3K5 | |
| SCHEMBL28643394 | 0.81 | ALDH1A1 (0.41) | MAP3K5ALDH1A1 | |
| SCHEMBL30028786 | 0.80 | MAP3K5 (0.43) | MAP3K5RIPK2ALDH1A1GRM5GRM1 | |
| SCHEMBL20672216 | 0.80 | MAP3K5 (0.43) | MAP3K5RIPK2ALDH1A1GRM5GRM1 | |
| SCHEMBL20802811 | 0.80 | MAP3K5 (0.52) | MAP3K5MAP3K6 | |
| SCHEMBL28646401 | 0.80 | KDM4C (0.46) | MAP3K5GRM5GRM1 |
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-109400625-B | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |