Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | DAO | P14920 | 7/20 | 0.54 |
| ▸ | DDO | Q99489 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.49 |
| ▸ | F11 | P03951 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL12569774 | 0.93 | CA12 (0.55) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL2947571 | 0.84 | CA12 (0.62) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL4288324 | 0.84 | CA12 (0.52) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL7264374 | 0.78 | CA12 (0.55) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL1119919 | 0.78 | CA12 (0.55) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL18822108 | 0.78 | CA12 (0.55) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL30908315 | 0.78 | CA12 (0.55) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL24220101 | 0.76 | CA12 (0.53) | CA12CA9DAOMAPK1F11 | |
| SCHEMBL17951770 | 0.75 | MAPK1 (0.68) | CA12CA9DAODDOMAPK1 | |
| SCHEMBL12546048 | 0.75 | CA12 (0.51) | CA12CA9DAODDOMAPK1 |
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-2023125812-A1 | SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |