Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7337643 | 0.83 | IDO1 (0.48) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL9075896 | 0.82 | TAAR1 (0.53) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL5574984 | 0.80 | IDO1 (0.54) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL5305930 | 0.77 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL9615514 | 0.77 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL9384544 | 0.77 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL28154918 | 0.77 | IDO1 (0.50) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL3098403 | 0.74 | IDO1 (0.52) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL19755174 | 0.74 | IDO1 (0.52) | IDO1CA12CA1CA2CA7 | |
| SCHEMBL297636 | 0.74 | IDO1 (0.52) | IDO1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116444483-A | Preparation method of 1,3-dithiane substituted diene derivative | 兰州大学 | 2023-07-18 | — | — | CN | disclosed |