Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 8/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ATR | Q13535 | 1/20 | 0.45 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978664 | 0.86 | ALDH1A1 (0.52) | ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL29979627 | 0.84 | TLR9 (0.50) | PIK3CDPIK3CAAOC3KDM4E | |
| SCHEMBL28475576 | 0.84 | TLR9 (0.50) | PIK3CDPIK3CAAOC3KDM4E | |
| SCHEMBL25082177 | 0.82 | CNR2 (0.52) | CNR2PIK3CDPIK3CAALDH1A1AOC3 | |
| SCHEMBL29979225 | 0.77 | NPC1 (0.46) | PIK3CDPIK3CAALDH1A1AOC3HPGD | |
| SCHEMBL29979620 | 0.76 | PIK3CA (0.56) | PIK3CDPIK3CA | |
| SCHEMBL28899916 | 0.76 | PIK3CA (0.56) | PIK3CDPIK3CA | |
| SCHEMBL22262619 | 0.75 | HRH3 (0.56) | PIK3CDPIK3CAALDH1A1KDM4EHPGD | |
| SCHEMBL1310183 | 0.75 | PIK3CA (0.72) | CNR2PIK3CDPIK3CAALDH1A1 | |
| SCHEMBL20745974 | 0.74 | HRH3 (0.55) | PIK3CDPIK3CAALDH1A1KDM4EHPGD |
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 |