Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17689707 | 1.00 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19752161 | 0.93 | CA12 (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19142061 | 0.91 | MAOA (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2010178 | 0.89 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29866205 | 0.89 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL19445120 | 0.87 | BRD4 (0.52) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18326991 | 0.86 | MAOA (0.55) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29407293 | 0.86 | MAOA (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6360162 | 0.86 | MAOA (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL14036308 | 0.82 | MCL1 (0.53) | CA12CA1CA2CA9ALDH1A1 |
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-114512625-A | Organic electroluminescent material and device | 环球展览公司 | 2022-05-17 | — | — | CN | disclosed |