Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 2/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL29017487 | 0.83 | ICMT (0.38) | OPRM1 | |
| SCHEMBL22918343 | 0.71 | PRKAB2 (0.36) | OPRM1OPRD1KCNH2 | |
| SCHEMBL10399359 | 0.67 | LMNA (0.53) | — | |
| SCHEMBL29017373 | 0.66 | SIGMAR1 (0.41) | OPRM1HTR1AHTR7HTR6 | |
| SCHEMBL29017382 | 0.66 | HTR1A (0.61) | OPRM1HTR1AHTR7HTR6 | |
| SCHEMBL29017367 | 0.65 | OPRM1 (0.50) | OPRM1HTR1AHTR7HTR6 | |
| Ethylbenzene SCHEMBL11526245 | 0.64 | TP53 (0.58) | — | |
| SCHEMBL12045145 | 0.64 | KCNH2 (0.56) | OPRM1OPRD1KCNH2 | |
| SCHEMBL29017417 | 0.63 | OPRM1 (0.63) | OPRM1HTR1AHTR7HTR6OPRD1 | |
| SCHEMBL29017397 | 0.63 | ICMT (0.40) | OPRM1 |
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-116240194-A | Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof | 中国科学院天津工业生物技术研究所 | 2023-06-09 | — | — | CN | disclosed |