Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | KCNH3 | Q9ULD8 | 9/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | IDH2 | P48735 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15102261 | 1.00 | CA1 (0.60) | CA1CA2CA9KCNH3PTGS2 | |
| SCHEMBL15102388 | 0.87 | KCNH3 (0.55) | CA1CA2CA9KCNH3PTGS2 | |
| SCHEMBL15102401 | 0.87 | KCNH3 (0.58) | CA1CA2CA9KCNH3PTGS2 | |
| SCHEMBL15102338 | 0.85 | KCNH3 (0.81) | CA1CA2CA9KCNH3CTSK | |
| SCHEMBL19486673 | 0.85 | KCNH3 (0.81) | CA1CA2CA9KCNH3CTSK | |
| SCHEMBL15102382 | 0.83 | KCNH3 (0.50) | CA1CA2CA9KCNH3PTGS2 | |
| SCHEMBL15131359 | 0.82 | KCNH3 (0.79) | CA1CA2CA9KCNH3CTSK | |
| SCHEMBL15102558 | 0.82 | KCNH3 (0.79) | KCNH3CTSKIDH2NPC1TSHR | |
| SCHEMBL15102557 | 0.82 | KCNH3 (0.65) | CA1CA2CA9KCNH3CTSK | |
| SCHEMBL16391893 | 0.81 | PTGS2 (0.67) | PTGS2KDM1ANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536635-A | Therapeutically active compounds and methods of use thereof | 法国施维雅药厂 | 2022-12-30 | — | — | CN | disclosed |
| CN-115521264-A | Therapeutically active compounds and methods of use thereof | 法国施维雅药厂 | 2022-12-27 | — | — | CN | disclosed |
| CN-114933585-A | Therapeutically active compounds and methods of use thereof | 法国施维雅药厂 | 2022-08-23 | — | — | CN | disclosed |
| CN-108912066-B | Therapeutically active compounds and methods of use thereof | 安吉奥斯医药品有限公司 | 2022-06-24 | — | — | CN | disclosed |