Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4A | O75164 | 1/20 | 0.57 |
| ▸ | KDM4B | O94953 | 1/20 | 0.57 |
| ▸ | KDM5C | P41229 | 1/20 | 0.57 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.57 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.57 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 10/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 4/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL6674377 | 0.79 | PARP1 (0.58) | PARP1IP6K1ACVR1PDPK1CA12 | |
| SCHEMBL2047874 | 0.77 | KDM4A (0.46) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL30617074 | 0.77 | KDM4A (0.46) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL1178698 | 0.76 | KDM4A (0.73) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| Pyrazine SCHEMBL27971096 | 0.74 | KDM4A (0.44) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL1886926 | 0.73 | KDM4C (1.00) | KDM4AKDM4BKDM5CKDM4CKDM5B | |
| SCHEMBL162925 | 0.72 | PARP1 (0.49) | PARP1IP6K1ACVR1PDPK1CA12 | |
| SCHEMBL11882019 | 0.68 | CLK1 (0.42) | MAPK10 | |
| SCHEMBL30627919 | 0.68 | MAPK10 (0.51) | MAPK10SMN1; SMN2 | |
| SCHEMBL19924467 | 0.68 | MAPK10 (0.51) | MAPK10SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008148074-A2 | INHIBITORS OF MTOR AND METHODS OF TREATMENT USING SAME | RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2008-12-04 | — | — | WO | disclosed |
| EP-0973773-A1 | PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION | SMITHKLINE BEECHAM PLC (GB) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998045293-A1 | PYRIMIDO-ISOQUINOLINE COMPOUNDS WITH ANTICONVULSIVE ACTION | SMITHKLINE BEECHAM PLC (GB) | 1998-10-15 | — | — | WO | disclosed |