Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 19/20 | 0.65 |
| ▸ | CA1 | P00915 | 19/20 | 0.65 |
| ▸ | CA2 | P00918 | 19/20 | 0.65 |
| ▸ | CA9 | Q16790 | 19/20 | 0.65 |
| ▸ | CA3 | P07451 | 14/20 | 0.65 |
| ▸ | CA4 | P22748 | 14/20 | 0.65 |
| ▸ | CA6 | P23280 | 14/20 | 0.65 |
| ▸ | CA5A | P35218 | 14/20 | 0.65 |
| ▸ | CA7 | P43166 | 14/20 | 0.65 |
| ▸ | CA13 | Q8N1Q1 | 14/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 14/20 | 0.65 |
| ▸ | CA5B | Q9Y2D0 | 14/20 | 0.65 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11665653 | 0.83 | CA12 (0.65) | CA12CA1CA2CA9CA3 | |
| SCHEMBL13545198 | 0.83 | CA12 (0.65) | CA12CA1CA2CA9CA3 | |
| SCHEMBL11758416 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9CA3 | |
| SCHEMBL1809228 | 0.79 | CA1 (1.00) | CA12CA1CA2CA9CA3 | |
| SCHEMBL31717970 | 0.79 | CA12 (1.00) | CA12CA1CA2CA9CA3 | |
| SCHEMBL10685397 | 0.79 | CA12 (0.73) | CA12CA1CA2CA9CA3 | |
| SCHEMBL574023 | 0.79 | CA12 (1.00) | CA12CA1CA2CA9CA3 | |
| Hydrochloric Acid SCHEMBL11158505 | 0.77 | CA12 (0.96) | CA12CA1CA2CA9CA3 | |
| SCHEMBL1809225 | 0.77 | CA12 (0.71) | CA12CA1CA2CA9CA3 | |
| SCHEMBL11759264 | 0.77 | CA12 (0.71) | CA12CA1CA2CA9CA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4061647-A | DIURETICS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-12-06 | — | — | US | disclosed |