Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ATF1 | P18846 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17964135 | 0.78 | HTT (0.43) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL25584916 | 0.77 | HTT (0.42) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL25599692 | 0.77 | HTT (0.42) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL29743287 | 0.77 | HTT (0.42) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL20856630 | 0.75 | HSD17B10 (0.41) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL2260139 | 0.75 | PLAU (0.42) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL20457487 | 0.72 | L3MBTL1 (0.39) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL20782349 | 0.71 | HTT (0.38) | HTTHSD17B10PDK2L3MBTL1ALDH1A1 | |
| SCHEMBL20856483 | 0.71 | HTT (0.38) | HTTHSD17B10ATF1NFKB1PDK2 | |
| SCHEMBL20288396 | 0.71 | GABRA1 (0.39) | HTTHSD17B10ATF1NFKB1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016128529-A1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |