Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
| ▸ | APP | P05067 | 6/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.63 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.63 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.63 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.63 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.63 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.63 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.63 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.63 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.63 |
| ▸ | SNCA | P37840 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3222973 | 0.88 | APP (0.64) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL28239239 | 0.88 | NPC1 (0.55) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL28470081 | 0.88 | NPC1 (0.54) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL31258068 | 0.87 | NPC1 (0.52) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL15447279 | 0.85 | HDAC8 (0.51) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL6709396 | 0.85 | HDAC3 (0.53) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL31257977 | 0.85 | HDAC8 (0.51) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL28888476 | 0.85 | CYP2A6 (0.53) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL28239240 | 0.85 | NPC1 (0.51) | NPC1HSP90AA1APPHDAC3HDAC4 | |
| SCHEMBL7815339 | 0.84 | NPC1 (0.50) | NPC1HSP90AA1APPHDAC3HDAC4 |
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 3 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 |
| WO-2008056378-A2 | NOVEL PROCESS FOR THE PREPARATION OF NARATRIPTAN HYDROCHLORIDE | NATCO PHARMA LIMITED (IN) | 2008-05-15 | — | — | WO | disclosed |