Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19066642 | 1.00 | TAAR1 (0.50) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL4437952 | 0.84 | TRPA1 (0.59) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL27536294 | 0.84 | EPHX1 (0.46) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL21850327 | 0.81 | TRPA1 (0.53) | TAAR1TRPA1SLC6A2MAOA | |
| SCHEMBL12917705 | 0.81 | CSNK1E (0.51) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL15219955 | 0.80 | TRPA1 (0.60) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL31118126 | 0.80 | TRPA1 (0.60) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL14217634 | 0.78 | TAAR1 (0.52) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL27590846 | 0.78 | TAAR1 (0.56) | TAAR1TRPA1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13003087 | 0.78 | TAAR1 (0.56) | TAAR1TRPA1SLC6A2SIGMAR1MAOA |
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-2017116949-A1 | MACROCYCLIC PICOLINAMIDES AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2017-07-06 | — | — | WO | disclosed |