Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.42 |
| ▸ | GAPDH | P04406 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2360898 | 0.90 | ACHE (0.42) | ACHEBACE1TRPA1DDAH1GAPDH | |
| SCHEMBL9943700 | 0.84 | — | — | |
| SCHEMBL4552804 | 0.83 | TRPA1 (0.50) | TRPA1DDAH1GAPDHMAPTLTB4R2 | |
| SCHEMBL28728248 | 0.82 | — | — | |
| SCHEMBL290688 | 0.81 | — | — | |
| SCHEMBL8434341 | 0.81 | TRPA1 (0.48) | TRPA1DDAH1GAPDHMAPTPPARG | |
| SCHEMBL28852289 | 0.81 | TRPA1 (0.48) | TRPA1DDAH1GAPDHMAPTPPARG | |
| SCHEMBL8437504 | 0.81 | TRPA1 (0.48) | TRPA1DDAH1GAPDHMAPTPPARG | |
| SCHEMBL27644434 | 0.81 | TRPA1 (0.48) | TRPA1DDAH1GAPDHMAPTPPARG | |
| SCHEMBL27828958 | 0.81 | TRPA1 (0.48) | TRPA1DDAH1GAPDHMAPTPPARG |
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-109789150-A | It is certain to be used to treat bronchiectasic (2S)-N- [(1S) -1- cyano -2- phenethyl] -1,4- oxazepine cycloheptane -2- formamide | 英斯梅德股份有限公司 | 2019-05-21 | — | — | CN | disclosed |