Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14899046 | 0.89 | OPRM1 (0.56) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1040389 | 0.87 | OPRM1 (0.54) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL16024156 | 0.87 | OPRM1 (0.54) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL1040539 | 0.87 | OPRM1 (0.54) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10821867 | 0.85 | OPRM1 (0.56) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL19126917 | 0.81 | HSD11B1 (0.43) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL13876257 | 0.80 | OPRM1 (0.59) | HSD11B1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL778919 | 0.76 | GAA (0.42) | HSD11B1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL776247 | 0.74 | PSEN1 (0.42) | OPRM1OPRD1PSEN1PSEN2APH1B | |
| SCHEMBL6132219 | 0.74 | MEN1 (0.57) | HSD11B1OPRM1OPRD1OPRK1OPRL1 |
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-108884093-A | 6,7,8,9- tetrahydro -5H- pyrido [2,3-d] azepine * dopamine D 3 ligands | 辉瑞公司 | 2018-11-23 | — | — | CN | disclosed |