Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.38 |
| ▸ | BCR | P11274 | 4/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 9/20 | 0.37 |
| ▸ | FLT3 | P36888 | 9/20 | 0.37 |
| ▸ | KIT | P10721 | 7/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | JAK3 | P52333 | 3/20 | 0.37 |
| ▸ | PLK4 | O00444 | 4/20 | 0.37 |
| ▸ | AURKA | O14965 | 4/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.37 |
| ▸ | PRKACA | P17612 | 4/20 | 0.37 |
| ▸ | FLT1 | P17948 | 4/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.37 |
| ▸ | MARK3 | P27448 | 4/20 | 0.37 |
| ▸ | FLT4 | P35916 | 4/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 4/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.37 |
| ▸ | STK3 | Q13188 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967841 | 0.86 | KDR (0.40) | ABL1BCRPTGS2KDRFLT3 | |
| SCHEMBL29968088 | 0.81 | KIT (0.41) | ABL1BCRPTGS2KDRFLT3 | |
| SCHEMBL29967707 | 0.79 | MAPK10 (0.43) | ABL1BCRKDRFLT3KIT | |
| SCHEMBL31029249 | 0.79 | PTGS2 (0.35) | ABL1BCRPTGS2KDRFLT3 | |
| SCHEMBL29967591 | 0.78 | MAPK8 (0.41) | ABL1PTGS2KDRFLT3KIT | |
| SCHEMBL29967788 | 0.78 | KDR (0.41) | ABL1BCRKDRFLT3KIT | |
| SCHEMBL29967914 | 0.77 | AGTR2 (0.40) | ABL1BCRPTGS2KDRFLT3 | |
| SCHEMBL29967968 | 0.77 | MAPK10 (0.44) | KDRFLT3KITJAK2JAK3 | |
| SCHEMBL29968236 | 0.77 | KDR (0.37) | ABL1BCRKDRFLT3KIT | |
| SCHEMBL29967996 | 0.76 | ABL1 (0.38) | ABL1BCRPTGS2KDRFLT3 |
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-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |