Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1902463 | 0.82 | MMP2 (0.43) | — | |
| SCHEMBL10588286 | 0.80 | HCAR3 (0.33) | HCAR3HCAR2CYP3A4MAPK1MEN1 | |
| SCHEMBL28117405 | 0.76 | CYP3A4 (0.38) | HCAR3HCAR2CYP3A4MAPK1PTGS2 | |
| SCHEMBL4082290 | 0.73 | CYP3A4 (0.40) | HCAR3HCAR2CYP3A4MAPK1PTGS2 | |
| SCHEMBL12319751 | 0.73 | CYP3A4 (0.40) | HCAR3HCAR2CYP3A4MAPK1PTGS2 | |
| SCHEMBL13343386 | 0.73 | CYP3A4 (0.40) | HCAR3HCAR2CYP3A4MAPK1PTGS2 | |
| SCHEMBL28585875 | 0.73 | HCAR3 (0.43) | HCAR3HCAR2MEN1CYP1A2POLB | |
| SCHEMBL13258813 | 0.72 | PTGS2 (0.38) | CYP3A4MAPK1PTGS2HSP90AA1MAPT | |
| SCHEMBL3720343 | 0.72 | PTGS2 (0.38) | CYP3A4MAPK1PTGS2HSP90AA1MAPT | |
| SCHEMBL28218097 | 0.72 | THRB (0.40) | HCAR3HCAR2CYP3A4MEN1TSHR |
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-106661498-B | Isomeric mixtures of musk compounds having an unsaturated macrocyclic ring | 西姆莱斯有限公司 | 2021-11-23 | — | — | CN | disclosed |
| CN-106535866-B | E isomer-enriched mixtures of musk compounds having an unsaturated macrocyclic ring | 西姆莱斯有限公司 | 2020-05-15 | — | — | CN | disclosed |