Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.57 |
| ▸ | GSDMD | P57764 | 2/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 7/20 | 0.55 |
| ▸ | CA2 | P00918 | 7/20 | 0.55 |
| ▸ | CA9 | Q16790 | 7/20 | 0.55 |
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL6300194 | 1.00 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| SCHEMBL442021 | 0.97 | HTT (0.60) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Water SCHEMBL27918103 | 0.94 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Selenium SCHEMBL11490632 | 0.94 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Hydrogen Sulfide SCHEMBL7978771 | 0.94 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| SCHEMBL2233780 | 0.94 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| SCHEMBL27926635 | 0.94 | HTT (0.57) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Ethylene SCHEMBL21221525 | 0.92 | ABCB11 (0.55) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Water SCHEMBL27426640 | 0.92 | ABCB11 (0.55) | HTTABCB11GSDMDCYP2E1PTGS1 | |
| Zinc Ion SCHEMBL2986374 | 0.92 | ABCB11 (0.55) | HTTABCB11GSDMDCYP2E1PTGS1 |
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-5288476-A | Technetium or rhenium complexed with dithiocarbamate ligands | CIS BIO INTERNATIONAL (FR) | 1994-02-22 | — | — | US | disclosed |