Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29979627 | 0.81 | TLR9 (0.50) | NPC1PIK3CAPIK3CDTSHRJAK2 | |
| SCHEMBL28475576 | 0.81 | TLR9 (0.50) | NPC1PIK3CAPIK3CDTSHRJAK2 | |
| SCHEMBL28899916 | 0.78 | PIK3CA (0.56) | PIK3CAPIK3CDJAK2MTORPIK3CG | |
| SCHEMBL29979620 | 0.78 | PIK3CA (0.56) | PIK3CAPIK3CDJAK2MTORPIK3CG | |
| SCHEMBL29979116 | 0.77 | CNR2 (0.51) | PIK3CAPIK3CDHPGDALOX15ALDH1A1 | |
| SCHEMBL22262619 | 0.73 | HRH3 (0.56) | NPC1PIK3CAPIK3CDHTTHPGD | |
| SCHEMBL20745974 | 0.72 | HRH3 (0.55) | NPC1PIK3CAPIK3CDHPGDSMN1; SMN2 | |
| SCHEMBL20745049 | 0.71 | PIK3CA (0.49) | PIK3CAPIK3CDHTTHPGDALDH1A1 | |
| SCHEMBL22262379 | 0.71 | KDM4E (0.47) | PIK3CAPIK3CDHPGDALDH1A1LMNA | |
| SCHEMBL15349904 | 0.70 | IDO1 (0.45) | NPC1MAPK1RAB9ASYK |
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 |