Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 3/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13734497 | 1.00 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL13735754 | 0.79 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL14658072 | 0.78 | POLB (0.39) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL14657149 | 0.76 | MAPK8 (0.51) | HDAC3HDAC1HDAC2HDAC6MAPK8 | |
| SCHEMBL23195809 | 0.72 | IGF1R (0.40) | KDRIGF1RCLK4CDK1CDK2 | |
| SCHEMBL13734929 | 0.72 | CDK1 (0.38) | KDRLRRK2CDK1CDK2 | |
| SCHEMBL14658958 | 0.68 | GSK3A (0.47) | MAPK8MAPK9GSK3AGSK3B | |
| SCHEMBL13734480 | 0.68 | GSK3A (0.47) | MAPK8MAPK9GSK3AGSK3B | |
| SCHEMBL3450501 | 0.67 | HDAC3 (0.44) | HDAC3HDAC1HDAC2HDAC6KDR | |
| SCHEMBL4584347 | 0.67 | IGF1R (0.48) | KDRIGF1RGSK3BALKCDK1 |
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-111471021-B | Substituted diamino carboxamides and diamino carbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | 西格诺药品有限公司 | 2024-04-02 | — | — | CN | disclosed |