Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL3100002 | 0.84 | MAOB (0.45) | MAOBMCHR1KCNH2KDM4ESIGMAR1 | |
| SCHEMBL3093159 | 0.82 | MAPK14 (0.45) | MAOBMCHR1KCNH2KDM4EHRH3 | |
| SCHEMBL1399864 | 0.81 | PSMB1 (0.46) | MAOBMCHR1KCNH2KDM4EHRH3 | |
| SCHEMBL3100907 | 0.81 | KMT2A (0.47) | MAOBKCNH2KDM4EHRH3 | |
| SCHEMBL3112375 | 0.81 | JAK2 (0.44) | MAOBMCHR1KCNH2KDM4EHRH3 | |
| SCHEMBL1400018 | 0.78 | MAPK14 (0.47) | MAOBKDM4ESIGMAR1HRH3 | |
| SCHEMBL1399869 | 0.78 | MAPK14 (0.47) | MAOBKDM4ESIGMAR1HRH3 | |
| SCHEMBL1399803 | 0.77 | MAPK14 (0.59) | — | |
| SCHEMBL1399878 | 0.77 | MAPK14 (0.47) | MAOBKDM4ESIGMAR1 | |
| SCHEMBL1399746 | 0.77 | MAPK14 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035386-A1 | ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007149031-A1 | ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES | ASTRAZENECA AB (SE) | 2007-12-27 | — | — | WO | disclosed |