Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.47 |
| ▸ | KCNQ4 | P56696 | 2/20 | 0.47 |
| ▸ | KCNQ5 | Q9NR82 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31258068 | 0.83 | NPC1 (0.52) | CYP2A6NPC1HSP90AA1HDAC8HDAC6 | |
| SCHEMBL31257977 | 0.82 | HDAC8 (0.51) | CYP2A6NPC1HSP90AA1HDAC8HDAC6 | |
| SCHEMBL6709396 | 0.82 | HDAC3 (0.53) | CYP2A6NPC1HSP90AA1EPHX2HDAC8 | |
| SCHEMBL15447279 | 0.82 | HDAC8 (0.51) | CYP2A6NPC1HSP90AA1HDAC8HDAC6 | |
| SCHEMBL14207388 | 0.82 | NPC1 (0.67) | CYP2A6NPC1HSP90AA1HDAC8HDAC6 | |
| SCHEMBL4943514 | 0.81 | F2R (0.48) | KCNQ3KCNQ2KCNQ4KCNQ5EPHX2 | |
| SCHEMBL31258071 | 0.80 | NPC1 (0.49) | CYP2A6NPC1HSP90AA1HDAC8HDAC6 | |
| SCHEMBL31312552 | 0.80 | HTR6 (0.54) | KCNQ3KCNQ2KCNQ4KCNQ5EPHX2 | |
| SCHEMBL4024181 | 0.80 | CCR9 (0.52) | KCNQ3KCNQ2KCNQ4KCNQ5EPHX2 | |
| SCHEMBL3193581 | 0.80 | HTR6 (0.54) | KCNQ3KCNQ2KCNQ4KCNQ5EPHX2 |
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-108047226-B | Matrine pyrrole and indole derivatives, and preparation method and application thereof | 广西大学 | 2020-11-03 | — | — | CN | claimed |