Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.43 |
| ▸ | KMO | O15229 | 4/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | LTK | P29376 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL984761 | 0.86 | MCL1 (0.46) | KMOAURKAKDM4E | |
| SCHEMBL1966662 | 0.77 | BCL2L1 (0.47) | MAPK14KDM4EASPHKDM8MAPK13 | |
| SCHEMBL981000 | 0.77 | KMT2A (0.50) | KDM4E | |
| SCHEMBL2057011 | 0.75 | KMO (0.52) | KMOMAPK14KDM4E | |
| SCHEMBL3344838 | 0.74 | KDM4E (0.44) | LRRK2PDE10AKDM4EASPHKDM8 | |
| SCHEMBL5775106 | 0.74 | KMO (0.47) | KMOKDM4E | |
| SCHEMBL28141313 | 0.74 | ADORA2A (0.43) | GRIN2BKMOGSK3BMAPK14KDM4E | |
| SCHEMBL13398655 | 0.74 | KDM4E (0.56) | GRIN2BKMOKDM4EGRIN1KCNH2 | |
| SCHEMBL25559406 | 0.74 | KMO (0.49) | GRIN2BKMOGSK3BLRRK2AURKA | |
| SCHEMBL19248547 | 0.72 | AURKA (0.47) | GRIN2BGSK3BLRRK2AURKADAPK3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| CN-102164896-A | Phenethylamide derivatives and their heterocyclic analogues | ACTELION PHARMACEUTICALS LTD | 2011-08-24 | — | — | CN | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |