Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28115399 | 1.00 | SLC18A3 (0.50) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL29338809 | 0.80 | SLC18A3 (0.54) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL10039726 | 0.80 | NAAA (0.46) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL27098391 | 0.79 | NAAA (0.50) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL28115404 | 0.79 | JAK2 (0.50) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL28115405 | 0.79 | JAK2 (0.50) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL23950410 | 0.77 | NAAA (0.49) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL31715951 | 0.77 | NAAA (0.49) | SLC18A3JAK2JAK1NAAAGRIN2B | |
| SCHEMBL28568037 | 0.77 | JAK2 (0.64) | SLC18A3JAK2JAK1NAAAAGTR2 | |
| SCHEMBL28568035 | 0.77 | JAK2 (0.64) | SLC18A3JAK2JAK1NAAAAGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106336406-B | Having beta2Octahydropentalene derivatives with receptor agonistic and M receptor antagonistic activity and their medical use | 四川海思科制药有限公司 | 2020-01-03 | — | — | CN | disclosed |
| CN-106336406-A | Octahydrocyclopentadiene derivative with beta2 receptor agonisis and M receptor antagonism activity, and use thereof in medicines | 四川海思科制药有限公司 | 2017-01-18 | — | — | CN | disclosed |