Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL22070510 | 0.91 | CHRNB2 (0.53) | CHRNB2CHRNA4ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL22098175 | 0.91 | CHRNB2 (0.53) | CHRNB2CHRNA4ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL22071036 | 0.91 | CHRNB2 (0.53) | CHRNB2CHRNA4ALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL7700888 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2AKR1C3NPC1CYP2D6CYP2C9 | |
| SCHEMBL1843950 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2AKR1C3NPC1CYP2D6CYP2C9 | |
| SCHEMBL6773162 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2AKR1C3NPC1CYP2D6CYP2C9 | |
| SCHEMBL8545138 | 0.83 | SMN1; SMN2 (0.67) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL24762313 | 0.81 | BCHE (0.47) | CHRNB2CHRNA4ALDH1A1SMN1; SMN2CHRNB4 | |
| SCHEMBL22098174 | 0.79 | NPC1 (0.60) | ALDH1A1NOTUMSMN1; SMN2HPGDMAPK1 | |
| SCHEMBL1841979 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1CYP2D6CYP2C9CYP2C19 |
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 |