Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | CNR1 | P21554 | 2/20 | 0.58 |
| ▸ | CNR2 | P34972 | 2/20 | 0.58 |
| ▸ | PPARA | Q07869 | 5/20 | 0.58 |
| ▸ | PPARG | P37231 | 4/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.58 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | DGKA | P23743 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17274751 | 0.87 | HDAC1 (0.66) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL1206811 | 0.86 | HDAC1 (0.64) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4210302 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4210190 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4219069 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4217471 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4204696 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL4212810 | 0.85 | EPHX2 (0.63) | HDAC1HDAC6PPARAPPARGEPHX2 | |
| SCHEMBL3145595 | 0.83 | HDAC1 (0.75) | HDAC1HDAC6EPHX2MTNR1AMTNR1B | |
| SCHEMBL25200176 | 0.83 | DGKA (0.62) | CNR2DGKA |
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-107501061-A | A kind of preparation method of the ketone of 2 methoxyl group, 6,7,8,9 tetrahydro benzo cycloheptane 5 | 爱斯特（成都）生物制药股份有限公司 | 2017-12-22 | — | — | CN | claimed |