Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA4 | P22748 | 2/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11873603 | 0.88 | CISD1 (0.73) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL12418660 | 0.78 | CISD1 (0.81) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL30331814 | 0.78 | CISD1 (0.81) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11706719 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11788818 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11452291 | 0.76 | ALDH1A1 (0.64) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL12418659 | 0.75 | CISD1 (0.83) | ALDH1A1CA12CA1CA2CA4 | |
| Potassium Ion SCHEMBL11097321 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11557893 | 0.75 | CA1 (0.72) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL11554422 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA4 |
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-4062952-A | Substituted benzenedisulfonamides as anthelmintics | MERCK & CO., INC. (US) | 1977-12-13 | — | — | US | disclosed |