Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19659381 | 0.77 | PARP1 (0.55) | PARP1L3MBTL1ALDH1A1DHODHCLK4 | |
| SCHEMBL19105 | 0.77 | MAPK8 (0.55) | PARP1PIM1CDC7CDK2CLK4 | |
| SCHEMBL15210509 | 0.70 | POLB (0.48) | PARP1L3MBTL1POLBNTRK1PIM1 | |
| SCHEMBL19913 | 0.70 | JAK2 (0.50) | ADORA2ACDK2 | |
| SCHEMBL15210475 | 0.68 | JAK2 (0.54) | ADORA2APDE10ACLK4DYRK1B | |
| SCHEMBL30035416 | 0.66 | PARP1 (0.44) | PARP1L3MBTL1KDM4EALDH1A1MAP2K1 | |
| SCHEMBL7040079 | 0.66 | JAK2 (0.48) | PARP1L3MBTL1ALDH1A1PDE10A | |
| SCHEMBL3468178 | 0.65 | ADORA2A (0.50) | PARP1L3MBTL1ADORA2APOLBKDM4E | |
| SCHEMBL20010 | 0.65 | KDR (0.52) | PDE10A | |
| SCHEMBL20963 | 0.65 | JAK2 (0.40) | PDE10A |
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-3760625-A1 | BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES | F. Hoffmann-La Roche AG (CH) | 2021-01-06 | — | — | EP | disclosed |
| WO-2017004500-A9 | BICYCLIC LACTAMS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |