Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.44 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28916127 | 1.00 | TRPA1 (0.57) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL27793610 | 0.84 | TRPA1 (0.53) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL5161982 | 0.83 | TRPA1 (0.58) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13721525 | 0.83 | TRPA1 (0.58) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13996976 | 0.82 | TRPA1 (0.39) | TRPA1TAAR1SLC6A2ANPEP | |
| SCHEMBL13996985 | 0.82 | TRPA1 (0.39) | TRPA1TAAR1SLC6A2ANPEP | |
| SCHEMBL21626265 | 0.82 | TRPA1 (0.48) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL13996975 | 0.81 | TRPA1 (0.59) | TRPA1MAOAANPEPMME | |
| SCHEMBL21610477 | 0.80 | TAAR1 (0.52) | TRPA1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL21610472 | 0.80 | TAAR1 (0.52) | TRPA1TAAR1SLC6A2SIGMAR1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115160123-A | Method for preparing carboxylic acid compound by oxidizing alcohol with oxygen as oxidant under catalysis of copper | 复旦大学 | 2022-10-11 | — | — | CN | disclosed |