Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 3/20 | 0.48 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | CYP24A1 | Q07973 | 2/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8685570 | 0.89 | CYP2A6 (0.53) | CYP2A6NPC1HSP90AA1APPSNCA | |
| SCHEMBL14207388 | 0.85 | NPC1 (0.67) | CYP2A6NPC1HSP90AA1HDAC3HDAC4 | |
| SCHEMBL31377898 | 0.81 | CYP2A6 (0.48) | CYP2A6NPC1HSP90AA1HDAC3HDAC4 | |
| SCHEMBL28396139 | 0.80 | CYP2A6 (0.60) | CYP2A6NPC1HSP90AA1HDAC3HDAC4 | |
| SCHEMBL27891512 | 0.79 | HDAC1 (0.79) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28623782 | 0.79 | CYP2A6 (0.58) | CYP2A6NPC1HSP90AA1HDAC3HDAC4 | |
| SCHEMBL17060376 | 0.78 | PRKCI (0.49) | RORCKDM4CCDK4CCND1NOS1 | |
| SCHEMBL17602180 | 0.78 | RORC (0.47) | APPRORCKDM4CCDK4CCND1 | |
| SCHEMBL8685673 | 0.77 | HPGD (0.53) | — | |
| SCHEMBL8685678 | 0.77 | KDM4C (0.42) | NPC1HSP90AA1HDAC3HDAC4HDAC1 |
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-111138422-B | Medicine for preventing and treating lupus erythematosus and preparation method thereof | 牡丹江医学院 | 2020-11-17 | — | — | CN | disclosed |
| CN-111138422-A | Medicine for preventing and treating lupus erythematosus and preparation method thereof | 牡丹江医学院 | 2020-05-12 | — | — | CN | disclosed |