Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | ALPL | P05186 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ILK | Q13418 | 1/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8057039 | 0.82 | CFTR (0.41) | CA1CA2CA9KDM4EHSD17B10 | |
| SCHEMBL8058137 | 0.81 | ALDH1A1 (0.36) | CA1CA2CA9KDM4EHSD17B10 | |
| SCHEMBL8056463 | 0.74 | CA1 (0.50) | CA1CA2CA9KDM4EHSD17B10 | |
| SCHEMBL522786 | 0.73 | CA12 (0.47) | CA1CA2CA9SLC6A4SLC6A3 | |
| SCHEMBL8058193 | 0.72 | VEGFA (0.41) | CA1CA2CA9ALPLSLC6A4 | |
| SCHEMBL8058094 | 0.71 | ALDH1A1 (0.33) | CA1CA2CA9ALPLSLC6A4 | |
| SCHEMBL8060827 | 0.71 | KDM4E (0.33) | CA1CA2CA9SLC6A4SLC6A3 | |
| SCHEMBL19993672 | 0.70 | MAPT (0.42) | CA1CA2CA9SLC6A4SLC6A3 | |
| SCHEMBL8056507 | 0.70 | CTSL (0.36) | ALPLSLC6A4SLC6A3KDM4EHSD17B10 | |
| SCHEMBL8056511 | 0.70 | CTSL (0.36) | ALPLSLC6A4SLC6A3KDM4EHSD17B10 |
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-6028069-A | Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |