Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.44 |
| ▸ | SYK | P43405 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28475576 | 1.00 | TLR9 (0.50) | TLR9PIK3CAPIK3CDPIK3CGAOC3 | |
| SCHEMBL29979620 | 0.85 | PIK3CA (0.56) | TLR9PIK3CAPIK3CDPIK3CGCFTR | |
| SCHEMBL28899916 | 0.85 | PIK3CA (0.56) | TLR9PIK3CAPIK3CDPIK3CGCFTR | |
| SCHEMBL29979116 | 0.84 | CNR2 (0.51) | PIK3CAPIK3CDAOC3KDM4E | |
| SCHEMBL22262619 | 0.82 | HRH3 (0.56) | PIK3CAPIK3CDPIK3CGNPC1JAK2 | |
| SCHEMBL20745974 | 0.81 | HRH3 (0.55) | PIK3CAPIK3CDPIK3CGNPC1JAK2 | |
| SCHEMBL29979225 | 0.81 | NPC1 (0.46) | PIK3CAPIK3CDPIK3CGAOC3NPC1 | |
| SCHEMBL22262379 | 0.80 | KDM4E (0.47) | TLR9PIK3CAPIK3CDPIK3CGMTOR | |
| SCHEMBL29979194 | 0.80 | GFER (0.49) | NPC1USP2MAPTTSHR | |
| SCHEMBL20746180 | 0.79 | POLB (0.52) | MTORHDAC1MAPK10KDM4EUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |