Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19917762 | 0.90 | NPC1 (0.46) | BACE1MEN1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL19917732 | 0.90 | TRPA1 (0.54) | TRPA1BACE1SRCCHRM3AOC3 | |
| SCHEMBL19917751 | 0.87 | TRPA1 (0.42) | TRPA1SRCL3MBTL1 | |
| SCHEMBL16964826 | 0.87 | TRPA1 (0.46) | TRPA1BACE1SRCCHRM3AOC3 | |
| SCHEMBL19917764 | 0.86 | CASR (0.39) | TRPA1MEN1LMNAKMT2AOPRM1 | |
| SCHEMBL19917765 | 0.85 | TRPA1 (0.47) | TRPA1KMT2A | |
| SCHEMBL19917753 | 0.85 | TRPA1 (0.41) | TRPA1MEN1ALDH1A1POLBMAPT | |
| SCHEMBL19917722 | 0.84 | BACE1 (0.47) | TRPA1BACE1SRCCHRM3AOC3 | |
| SCHEMBL19917759 | 0.84 | TRPA1 (0.44) | TRPA1BACE1CHRM3PTPN5OPRM1 | |
| SCHEMBL19917652 | 0.84 | TRPA1 (0.44) | TRPA1BACE1CHRM3PTPN5OPRM1 |
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 |