Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 5/20 | 0.37 |
| ▸ | RARA | P10276 | 2/20 | 0.37 |
| ▸ | RARG | P13631 | 2/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17629762 | 0.91 | RARA (0.43) | CA12CA1CA9SYKRORC | |
| SCHEMBL28895279 | 0.87 | CA12 (0.41) | CA12CA1CA9SYKRORC | |
| SCHEMBL9288893 | 0.84 | CYP3A4 (0.47) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL16236847 | 0.84 | CA12 (0.48) | CA12CA1CA9SYKRORC | |
| SCHEMBL3120908 | 0.82 | CA12 (0.48) | CA12CA1CA9EGLN2CYP17A1 | |
| SCHEMBL28895300 | 0.81 | CA12 (0.43) | CA12CA1CA9SYKRORC | |
| SCHEMBL17643122 | 0.81 | CA12 (0.39) | CA12CA1CA9SYKRORC | |
| SCHEMBL16137967 | 0.81 | MAPT (0.41) | CA12CA1CA9SYKEGLN2 | |
| SCHEMBL16302366 | 0.80 | CA12 (0.51) | CA12CA1CA9MEN1KMT2A | |
| SCHEMBL28895299 | 0.79 | CA12 (0.44) | CA12CA1CA9SYKRORC |
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-114315805-A | Aromatic ring-fused cyclic lactone thiohydantoin compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-04-12 | — | — | CN | disclosed |