Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.65 |
| ▸ | PPARG | P37231 | 3/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.64 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL28189233 | 0.99 | PPARA (0.67) | PPARAPPARGHDAC1HDAC6EPHX2 | |
| SCHEMBL1206248 | 0.94 | HDAC1 (0.70) | PPARAPPARGHDAC1HDAC6MTNR1A | |
| SCHEMBL28188589 | 0.94 | HDAC1 (0.70) | PPARAPPARGHDAC1HDAC6MTNR1A | |
| SCHEMBL9663074 | 0.93 | HDAC1 (0.72) | PPARAPPARGHDAC1HDAC6EPHX2 | |
| SCHEMBL710937 | 0.93 | HDAC1 (0.72) | PPARAPPARGHDAC1HDAC6EPHX2 | |
| SCHEMBL25035334 | 0.93 | HDAC1 (0.72) | PPARAPPARGHDAC1HDAC6EPHX2 | |
| SCHEMBL17274767 | 0.93 | HDAC1 (0.72) | PPARAPPARGHDAC1HDAC6EPHX2 | |
| SCHEMBL7758273 | 0.90 | HDAC1 (0.63) | HDAC1HDAC6MTNR1AMTNR1B | |
| SCHEMBL29669893 | 0.90 | HDAC1 (0.63) | HDAC1HDAC6MTNR1AMTNR1B | |
| SCHEMBL4817193 | 0.87 | CHRM2 (0.63) | PPARAPPARGHDAC1HDAC6MTNR1A |
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 | disclosed |