Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL15366426 | 1.00 | TRPA1 (0.45) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL16594079 | 0.85 | SLC6A2 (0.40) | TRPA1SLC6A2SLC6A4SLC6A3CYP3A4 | |
| SCHEMBL4437952 | 0.78 | TRPA1 (0.59) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL6178463 | 0.77 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL17893042 | 0.77 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL17893040 | 0.77 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL17893041 | 0.77 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL17899002 | 0.77 | TRPA1 (0.46) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL3123290 | 0.73 | TRPA1 (0.67) | TRPA1TAAR1SIGMAR1SLC6A2MAOA | |
| SCHEMBL3123281 | 0.73 | TRPA1 (0.67) | TRPA1TAAR1SIGMAR1SLC6A2MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2847188-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | Dow AgroSciences LLC (US) | 2015-03-18 | — | — | EP | disclosed |
| WO-2013169660-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2013-11-14 | — | — | WO | disclosed |