Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 5/20 | 0.40 |
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL161269 | 0.96 | CA12 (0.49) | CA12CA1CA2CA9HDAC8 | |
| Water SCHEMBL27550628 | 0.96 | CA12 (0.49) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL27576521 | 0.94 | CA12 (0.47) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL27297558 | 0.94 | CA12 (0.47) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL668823 | 0.92 | CA12 (0.54) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL2586304 | 0.86 | HPRT1 (0.54) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL1270804 | 0.86 | HPRT1 (0.54) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL2450625 | 0.82 | MCL1 (0.45) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL23803186 | 0.81 | DHFR (0.39) | CA12CA1CA2CA9HDAC8 | |
| SCHEMBL20774194 | 0.81 | HSD17B10 (0.43) | CA12CA1CA2CA9HDAC8 |
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-114478267-A | Organic compound for light emitting device and organic electroluminescent device | 北京鼎材科技有限公司 | 2022-05-13 | — | — | CN | disclosed |