Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1542329 | 0.91 | NPC1 (0.40) | NPC1PDE5AKCNA5ALOX5KMT2A | |
| SCHEMBL14800179 | 0.83 | NPC1 (0.42) | NPC1PDE5AKMT2AMAPTHDAC1 | |
| SCHEMBL637196 | 0.82 | NPC1 (0.42) | NPC1PDE5AKMT2AMAPT | |
| SCHEMBL14800966 | 0.78 | NPC1 (0.40) | NPC1KMT2AMAPT | |
| SCHEMBL30645867 | 0.77 | NPC1 (0.40) | NPC1PDE5AMAPTHDAC1HDAC8 | |
| SCHEMBL14816254 | 0.73 | PLA2G4A (0.41) | NPC1ALOX5KMT2AMAPTHDAC1 | |
| SCHEMBL14816252 | 0.73 | PLA2G4A (0.41) | NPC1ALOX5KMT2AMAPTHDAC1 | |
| SCHEMBL30470561 | 0.73 | NPC1 (0.39) | NPC1MAPT | |
| SCHEMBL29324119 | 0.73 | NPC1 (0.39) | NPC1MAPT | |
| SCHEMBL29081529 | 0.72 | NPC1 (0.40) | NPC1MAPT |
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-102964347-B | 8-[3-amino-piperadine-1-base]-Xanthine compounds, its preparation method and the purposes as pharmaceutical preparation | BOEHRINGER INGELHEIM PHARMACEUTICAL CO., LTD. (DE) | 2015-11-18 | — | — | CN | disclosed |
| CN-105001222-A | New 8-(3-amino-piperidin-1-yl)-xanthine derivatives, preparing method and uses thereof as a pharmaceutic preparation | BOEHRINGER INGELHEIM PHARMA | 2015-10-28 | — | — | CN | disclosed |