Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8984317 | 0.85 | CA12 (0.44) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL27602739 | 0.85 | CA12 (0.46) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL21618180 | 0.83 | ALDH1A1 (0.50) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL12737574 | 0.83 | ALDH1A1 (0.50) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL9448631 | 0.82 | CA12 (0.42) | CA12CA1CA9PSMD10ALDH1A1 | |
| SCHEMBL30619285 | 0.82 | ALDH1A1 (0.49) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL483847 | 0.82 | ALDH1A1 (0.50) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL29978683 | 0.81 | ALDH1A1 (0.35) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL278859 | 0.81 | ALDH1A1 (0.47) | CA12CA1CA9PSMD10CYP2D6 | |
| SCHEMBL2550352 | 0.80 | ALDH1A1 (0.50) | CA12CA1CA9PSMD10CYP2D6 |
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 |