Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25634230 | 0.89 | DNMT1 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21710729 | 0.87 | MCL1 (0.42) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL25060814 | 0.86 | CA12 (0.44) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL27953460 | 0.86 | ALDH1A1 (0.42) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL27889959 | 0.86 | MCL1 (0.41) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL24922893 | 0.86 | CA12 (0.43) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL23879787 | 0.86 | CA12 (0.43) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL25633662 | 0.85 | ALOX5 (0.42) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL26891939 | 0.85 | PIM1 (0.41) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL26856185 | 0.85 | PIM1 (0.41) | CA12CA1CA2CA9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-114514225-A | Electroactive compounds | 杜邦电子公司 | 2022-05-17 | — | — | CN | disclosed |