Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL6154559 | 0.89 | CYP2D6 (0.50) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28010900 | 0.84 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3911629 | 0.82 | SLC22A6 (0.54) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL1155341 | 0.82 | CYP2D6 (0.49) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL25787717 | 0.82 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5013748 | 0.82 | GABRR1 (0.46) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3650388 | 0.82 | CYP2D6 (0.49) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3911627 | 0.82 | SLC22A6 (0.54) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27642890 | 0.82 | GABRR1 (0.46) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3914001 | 0.82 | SLC22A6 (0.54) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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-105796551-A | ACE inhibitor neolignan composition as well as preparation method and application thereof | 吉林农业大学 | 2016-07-27 | — | — | CN | disclosed |
| CN-105601593-A | Lignanolide composition for nitrite scavenger as well as preparation method and application of lignanolide composition | UNIV JILIN AGRICULTURAL | 2016-05-25 | — | — | CN | disclosed |