Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 19/20 | 0.54 |
| ▸ | ALB | P02768 | 2/20 | 0.53 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | EEF2K | O00418 | 1/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PAK4 | O96013 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | MARK3 | P27448 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.46 |
| ▸ | NEK2 | P51955 | 1/20 | 0.46 |
| ▸ | NEK4 | P51957 | 1/20 | 0.46 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | CAMK2B | Q13554 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19635841 | 0.82 | MCL1 (0.47) | MCL1ALBCDC7EEF2KDAPK3 | |
| SCHEMBL23251297 | 0.81 | MCL1 (0.54) | MCL1ALBCDC7EEF2KDAPK3 | |
| SCHEMBL19635333 | 0.81 | MCL1 (0.48) | MCL1ALBCDC7EEF2KDAPK3 | |
| SCHEMBL23251260 | 0.81 | MCL1 (0.57) | MCL1ALBPMAIP1BCL2L1BAD | |
| SCHEMBL19635299 | 0.79 | MCL1 (0.44) | MCL1ALBCDC7EEF2KDAPK3 | |
| SCHEMBL24378032 | 0.77 | MCL1 (0.59) | MCL1ALBEEF2KDAPK3MAP4K4 | |
| SCHEMBL19615365 | 0.77 | MCL1 (0.43) | MCL1ALBCDC7EEF2KDAPK3 | |
| SCHEMBL19635450 | 0.75 | MCL1 (0.49) | MCL1ALBEEF2KMARK3AXL | |
| SCHEMBL19635045 | 0.74 | MCL1 (0.61) | MCL1PMAIP1BCL2L1BADBCL2 | |
| SCHEMBL28648137 | 0.74 | MCL1 (0.56) | MCL1ALBPMAIP1BCL2L1BAD |
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-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |