Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22555679 | 0.86 | OPRK1 (0.36) | SIGMAR1HTR2AALDH1A1 | |
| SCHEMBL30514796 | 0.86 | OPRK1 (0.36) | SIGMAR1HTR2AALDH1A1 | |
| SCHEMBL21187251 | 0.86 | OPRK1 (0.36) | SIGMAR1HTR2AALDH1A1 | |
| SCHEMBL21187236 | 0.74 | HTR2A (0.32) | HTR2A | |
| SCHEMBL28225275 | 0.71 | CYP2D6 (0.36) | SIGMAR1HTR2ATAAR1 | |
| SCHEMBL29452916 | 0.68 | GPR84 (0.34) | HTR2A | |
| SCHEMBL21176974 | 0.68 | GPR84 (0.34) | HTR2A | |
| SCHEMBL21176977 | 0.68 | GPR84 (0.34) | HTR2A | |
| SCHEMBL21176956 | 0.67 | POLB (0.55) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28226022 | 0.67 | HRH3 (0.40) | SIGMAR1HTR2A |
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-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |