Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1903662 | 0.90 | FAAH (0.49) | FAAHITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL12384378 | 0.84 | FAAH (0.47) | FAAHITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL20665268 | 0.83 | FAAH (0.49) | FAAHITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL18997635 | 0.83 | FAAH (0.50) | FAAHITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL22070507 | 0.82 | ITGB3 (0.40) | FAAHITGB3ITGA2BGNAI3GNAO1 | |
| SCHEMBL13451999 | 0.81 | FAAH (0.47) | FAAHGNAI3GNAO1GNAI1NPC1 | |
| SCHEMBL14115764 | 0.79 | FAAH (0.46) | FAAHGNAI3GNAO1GNAI1NPC1 | |
| SCHEMBL7299175 | 0.79 | AKR1C3 (0.45) | ITGB3ITGA2BGNAI3GNAO1GNAI1 | |
| SCHEMBL18997634 | 0.79 | FAAH (0.46) | FAAHGNAI3GNAO1GNAI1AKR1C3 | |
| SCHEMBL11890321 | 0.78 | FAAH (0.42) | FAAHGNAI3GNAO1GNAI1AOC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019031618-A1 | PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE | 大正製薬株式会社 | 2019-02-14 | — | — | WO | disclosed |