Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD1 | Q9NZ45 | 12/20 | 0.56 |
| ▸ | CA12 | O43570 | 8/20 | 0.56 |
| ▸ | CA1 | P00915 | 8/20 | 0.56 |
| ▸ | CA2 | P00918 | 8/20 | 0.56 |
| ▸ | CA9 | Q16790 | 8/20 | 0.56 |
| ▸ | CA4 | P22748 | 6/20 | 0.56 |
| ▸ | CA6 | P23280 | 6/20 | 0.56 |
| ▸ | CA7 | P43166 | 6/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.56 |
| ▸ | CA3 | P07451 | 5/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.56 |
| ▸ | CA5A | P35218 | 4/20 | 0.56 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11232241 | 0.84 | CISD1 (0.77) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11711824 | 0.78 | CISD1 (0.72) | CISD1CA12CA1CA2CA9 | |
| Xipamide SCHEMBL43532 | 0.78 | CA1 (0.48) | CISD1CA12CA1CA2CA9 | |
| Xipamide SCHEMBL6711167 | 0.78 | CA1 (0.48) | CISD1CA12CA1CA2CA9 | |
| Xipamide SCHEMBL29377965 | 0.78 | CA1 (0.48) | CISD1CA12CA1CA2CA9 | |
| Xipamide SCHEMBL8196525 | 0.76 | CA1 (0.46) | CISD1CA12CA1CA2CA9 | |
| Xipamide SCHEMBL6898106 | 0.74 | CA12 (0.48) | CA12CA1CA2CA9CA4 | |
| SCHEMBL3040620 | 0.74 | CISD1 (0.74) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL31717970 | 0.73 | CA12 (1.00) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL574023 | 0.73 | CA12 (1.00) | CISD1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4684728-A | Solubilizing biologically active compounds with reactive hydrogen atoms | BAYER AKTIENGESELLSCHAFT (DE) | 1987-08-04 | — | — | US | disclosed |
| US-4490368-A | EQUILIBRIUM OF BLOOD METAL CONCENTRATION | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1984-12-25 | — | — | US | disclosed |