Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 3/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.37 |
| ▸ | FYN | P06241 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | YES1 | P07947 | 1/20 | 0.33 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL629111 | 0.76 | FYN (0.44) | JAK1FYNCA1CA2NPC1 | |
| SCHEMBL10178985 | 0.73 | JAK1 (0.44) | JAK1NPC1 | |
| SCHEMBL12812412 | 0.72 | PIK3CA (0.46) | JAK1NPC1DYRK1A | |
| SCHEMBL1442658 | 0.72 | MAPT (0.43) | JAK1NPC1MAPK1 | |
| SCHEMBL629037 | 0.72 | MAPK1 (0.61) | MAPK1AURKBYES1HIPK1ABL1 | |
| SCHEMBL13276836 | 0.71 | JAK1 (0.43) | JAK1NPC1 | |
| SCHEMBL27882097 | 0.71 | JAK1 (0.39) | JAK1FYNCA1CA2NPC1 | |
| SCHEMBL1442650 | 0.71 | HRH4 (0.56) | JAK1NPC1MELK | |
| SCHEMBL1442172 | 0.70 | JAK1 (0.40) | JAK1CA1CA2GRIN2BLRRK2 | |
| SCHEMBL1442085 | 0.70 | HPGD (0.47) | JAK1NPC1JAK2PIM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102378758-A | Quinoxaline derivatives and their use for treating benign and malignant tumour disorders | AETERNA ZENTARIS GMBH | 2012-03-14 | — | — | CN | claimed |
| CN-102378758-A | Quinoxaline derivatives and their use for treating benign and malignant tumour disorders | AETERNA ZENTARIS GMBH | 2012-03-14 | — | — | CN | disclosed |