Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 5/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26246631 | 0.91 | EGLN2 (0.42) | CA12CA1CA9LCKRORC | |
| SCHEMBL849917 | 0.89 | CA12 (0.48) | CA12CA1CA9LCKAAK1 | |
| SCHEMBL16236847 | 0.85 | CA12 (0.48) | CA12CA1CA9LCKRORC | |
| SCHEMBL26467882 | 0.82 | CA12 (0.40) | CA12CA1CA9LCKRORC | |
| SCHEMBL13064691 | 0.82 | CA12 (0.43) | CA12CA1CA9LCKRORC | |
| SCHEMBL13065195 | 0.81 | ALDH1A1 (0.46) | CA12CA1CA9LCKAAK1 | |
| SCHEMBL28895283 | 0.81 | CA12 (0.42) | CA12CA1CA9LCKRORC | |
| SCHEMBL16302366 | 0.81 | CA12 (0.51) | CA12CA1CA9LCKEGLN2 | |
| SCHEMBL28895279 | 0.80 | CA12 (0.41) | CA12CA1CA9LCKRORC | |
| SCHEMBL28895299 | 0.80 | CA12 (0.44) | CA12CA1CA9RORCSYK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466897-A | Highly selective FGFR2 inhibitors | 深圳福沃药业有限公司 | 2024-01-30 | — | — | CN | disclosed |
| 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 |