Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19917764 | 0.90 | CASR (0.39) | CASRTRPA1NPC1RAB9APPARA | |
| SCHEMBL19917731 | 0.90 | NPC1 (0.43) | TRPA1NPC1RAB9APPARAPTGER1 | |
| SCHEMBL19917672 | 0.88 | CASR (0.42) | CASRTRPA1NPC1RAB9APPARA | |
| SCHEMBL19917653 | 0.85 | TRPA1 (0.38) | TRPA1NPC1RAB9APPARAALDH1A1 | |
| SCHEMBL19917774 | 0.85 | TRPA1 (0.46) | TRPA1PPARAPTGER1 | |
| SCHEMBL19917763 | 0.83 | BACE1 (0.52) | TRPA1ALDH1A1 | |
| SCHEMBL19917735 | 0.82 | TRPA1 (0.40) | TRPA1ALDH1A1 | |
| SCHEMBL16894155 | 0.81 | ALDH1A1 (0.56) | TRPA1ALDH1A1PTGER1MAPK1 | |
| SCHEMBL19917689 | 0.80 | LMNA (0.41) | CASRTRPA1NPC1RAB9APPARA | |
| SCHEMBL16894227 | 0.79 | TRPA1 (0.49) | TRPA1ALDH1A1PTGER1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900642-B1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-02-28 | — | — | EP | disclosed |