Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.56 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.53 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 1/20 | 0.53 |
| ▸ | MDM4 | O15151 | 1/20 | 0.53 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MBTPS1 | Q14703 | 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 | |
|---|---|---|---|---|
| SCHEMBL28258931 | 1.00 | ACE (0.57) | ACEFAAHHDAC1HDAC6PSMB5 | |
| SCHEMBL43741 | 0.87 | HDAC1 (0.64) | HDAC1HDAC6GRIA1MDM4MDM2 | |
| SCHEMBL42986 | 0.87 | HDAC1 (0.64) | HDAC1HDAC6GRIA1MDM4MDM2 | |
| SCHEMBL19532963 | 0.86 | ACE (0.55) | ACEHDAC1HDAC6TACR1MDM4 | |
| SCHEMBL10521367 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 | |
| SCHEMBL6650599 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 | |
| SCHEMBL6651722 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 | |
| SCHEMBL10519976 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 | |
| SCHEMBL6651343 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 | |
| SCHEMBL6650597 | 0.86 | ITGB3 (0.58) | HDAC1HDAC6GRIA1 |
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-108976146-A | The positive positive hexanoyl ArAA of hexanoyl ammonia first cyclic amide base of amino, synthesis, activity and application | 首都医科大学 | 2018-12-11 | — | — | CN | disclosed |