Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 8/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.36 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29968332 | 0.94 | ACMSD (0.38) | DHODHKDRMAPK1AGTR2MAPK10 | |
| SCHEMBL29968259 | 0.91 | AGTR2 (0.37) | KDRAGTR2MAPK10MAPK8CLCN2 | |
| SCHEMBL29967914 | 0.90 | AGTR2 (0.40) | KDRAGTR2MAPK10MAPK8CLCN2 | |
| SCHEMBL29967523 | 0.84 | MAPK8 (0.41) | DHODHAGTR2MAPK8ACMSDABL1 | |
| SCHEMBL29967996 | 0.82 | ABL1 (0.38) | KDRMAPK10MAPK8PLK4AURKA | |
| SCHEMBL29968331 | 0.81 | KDM4C (0.38) | KDRAGTR2MAPK10MAPK8PLK4 | |
| SCHEMBL29968299 | 0.79 | KIT (0.43) | KDRMAPK1MAPK8PLK4AURKA | |
| SCHEMBL29967968 | 0.78 | MAPK10 (0.44) | KDRMAPK10MAPK8CDC7PLK4 | |
| SCHEMBL29968241 | 0.78 | ACMSD (0.36) | KDRAGTR2MAPK10MAPK8PLK4 | |
| SCHEMBL29967841 | 0.76 | KDR (0.40) | KDRPLK4AURKAJAK2ROCK2 |
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-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |