Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | ICMT | O60725 | 3/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
| ▸ | NT5E | P21589 | 2/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29978806 | 0.79 | IRAK1 (0.56) | IRAK4 | |
| SCHEMBL29979766 | 0.77 | IRAK1 (0.44) | IRAK4 | |
| SCHEMBL28899916 | 0.73 | PIK3CA (0.56) | PIK3CAPIK3CDPIK3CGMTOR | |
| SCHEMBL29979620 | 0.73 | PIK3CA (0.56) | PIK3CAPIK3CDPIK3CGMTOR | |
| SCHEMBL16675860 | 0.73 | CLK4 (0.62) | CTSSCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20745473 | 0.72 | ABL1 (0.50) | PIK3CAPIK3CDIRAK4CYP1A2CYP3A4 | |
| SCHEMBL7958916 | 0.72 | TRPV3 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL20745049 | 0.72 | PIK3CA (0.49) | PIK3CAPIK3CDPIK3CGMTOR | |
| SCHEMBL20745959 | 0.71 | GRIN1 (0.47) | PIK3CAPIK3CDIRAK4 | |
| SCHEMBL16899778 | 0.71 | USP30 (0.42) | CTSAICMTPIK3CAPIK3CDNT5E |
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 |