Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 7/20 | 0.51 |
| ▸ | CDK8 | P49336 | 7/20 | 0.51 |
| ▸ | CDC7 | O00311 | 5/20 | 0.50 |
| ▸ | PKN1 | Q16512 | 3/20 | 0.47 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.47 |
| ▸ | PRKACA | P17612 | 1/20 | 0.47 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.47 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.47 |
| ▸ | CLK2 | P49760 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1079995 | 0.84 | ALDH1A1 (0.49) | CDC7PKN2PLK4MAPK13DYRK3 | |
| SCHEMBL1078329 | 0.81 | CHEK2 (0.48) | CDC7CHEK2PARP1 | |
| SCHEMBL8468040 | 0.80 | PKN1 (0.49) | CCNCCDK8PKN1PKN2MAPK13 | |
| SCHEMBL10552598 | 0.77 | PARP1 (0.51) | MAP4K4CHEK2AURKBPARP1PARP2 | |
| SCHEMBL29126864 | 0.74 | PARP1 (0.45) | PARP1 | |
| SCHEMBL15348460 | 0.73 | HPGDS (0.51) | CDC7PLK4MAP4K4CHEK2PIM1 | |
| SCHEMBL3367051 | 0.73 | CHEK2 (0.54) | CHEK2 | |
| SCHEMBL11472312 | 0.72 | PKN1 (0.51) | CCNCCDK8CDC7PKN1PKN2 | |
| SCHEMBL4788485 | 0.70 | BRAF (0.40) | CCNCCDK8PKN1PKN2PIM1 | |
| SCHEMBL1080850 | 0.70 | PIN1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672952-B1 | BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |