Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL140992 | 0.81 | STAT3 (0.46) | ALDH1A1GAASTAT3CA1CA9 | |
| SCHEMBL29978672 | 0.81 | CA12 (0.39) | ALDH1A1GAASTAT3CA1CA9 | |
| SCHEMBL23539498 | 0.80 | CA1 (0.33) | ALDH1A1STAT3CA1CA9CA12 | |
| SCHEMBL17929597 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL17480135 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL9484674 | 0.79 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTHTT | |
| SCHEMBL19067491 | 0.78 | STAT3 (0.39) | ALDH1A1LMNAPOLBGAAMAPT | |
| SCHEMBL15986951 | 0.77 | PLA2G2C (0.46) | ALDH1A1LMNAPOLBGAAMAPT | |
| SCHEMBL5959107 | 0.77 | PLA2G2C (0.46) | ALDH1A1LMNAPOLBGAAMAPT | |
| SCHEMBL18029905 | 0.77 | PLA2G2C (0.46) | ALDH1A1LMNAPOLBGAAMAPT |
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 |