Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5819913 | 0.91 | SMN1; SMN2 (0.33) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5817989 | 0.91 | NPC1 (0.34) | ALDH1A1GAA | |
| SCHEMBL5814748 | 0.90 | KCNH2 (0.33) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL4747882 | 0.79 | POLB (0.33) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5815540 | 0.75 | KDM4E (0.42) | ALDH1A1PTGS2 | |
| SCHEMBL5814749 | 0.74 | ADORA2A (0.35) | ALDH1A1PTGS2 | |
| SCHEMBL4747271 | 0.67 | EGFR (0.37) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL4750210 | 0.60 | EGFR (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19PTGS2 | |
| SCHEMBL5820059 | 0.58 | L3MBTL1 (0.46) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 | |
| SCHEMBL5818400 | 0.57 | ZAP70 (0.38) | ALDH1A1CYP1A2GAACYP2C9CYP2C19 |
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-2006112666-A1 | PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SK CHEMICALS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |