Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.56 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.56 |
| ▸ | MTOR | P42345 | 4/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.47 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.47 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.46 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.46 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL28899916 | 1.00 | PIK3CA (0.56) | PIK3CAPIK3CDMTORPIK3CGCAMK2D | |
| SCHEMBL28475576 | 0.85 | TLR9 (0.50) | PIK3CAPIK3CDMTORPIK3CGHDAC1 | |
| SCHEMBL29979627 | 0.85 | TLR9 (0.50) | PIK3CAPIK3CDMTORPIK3CGHDAC1 | |
| SCHEMBL14961828 | 0.82 | DHFR (0.54) | PIK3CAPIK3CDMTORPIK3CGCAMK2D | |
| SCHEMBL20745049 | 0.81 | PIK3CA (0.49) | PIK3CAPIK3CDMTORPIK3CG | |
| SCHEMBL20745473 | 0.79 | ABL1 (0.50) | PIK3CAPIK3CDMTORPIK3CG | |
| SCHEMBL29979225 | 0.78 | NPC1 (0.46) | PIK3CAPIK3CDMTORPIK3CGJAK2 | |
| SCHEMBL20745060 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL10885415 | 0.77 | CDK1 (0.45) | PIK3CAPIK3CDPIK3CGPLOD2PLOD3 | |
| SCHEMBL29380102 | 0.77 | CDK1 (0.45) | PIK3CAPIK3CDPIK3CGPLOD2PLOD3 |
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 |