Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 4/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 4/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL24749100 | 0.96 | MCL1 (0.35) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748776 | 0.96 | CA12 (0.37) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748818 | 0.96 | CA12 (0.38) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748801 | 0.96 | CA12 (0.38) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748750 | 0.96 | CA12 (0.39) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748744 | 0.96 | CA12 (0.39) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24747727 | 0.96 | MCL1 (0.38) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL24748062 | 0.96 | CA12 (0.39) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748030 | 0.96 | CA12 (0.39) | CA12CA1CA2CA9PLA2G2A | |
| SCHEMBL24748817 | 0.96 | MCL1 (0.38) | CA12CA1CA2CA9MCL1 |
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-2022259886-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-12-15 | — | — | WO | disclosed |