Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PSD | A5PKW4 | 2/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL5816497 | 0.91 | PSD (0.39) | ALDH1A1NPC1RAB9APSD | |
| SCHEMBL5820441 | 0.90 | ALDH1A1 (0.34) | KCNH2PTGS2ALDH1A1CYP1A2GAA | |
| SCHEMBL5819913 | 0.87 | SMN1; SMN2 (0.33) | PTGS2ALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL5817989 | 0.80 | NPC1 (0.34) | ALDH1A1GAATHRBNPC1RAB9A | |
| SCHEMBL4747882 | 0.78 | POLB (0.33) | KCNH2ALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL5815540 | 0.72 | KDM4E (0.42) | PTGS2ALDH1A1NPC1RAB9A | |
| SCHEMBL4747271 | 0.60 | EGFR (0.37) | PTGS2ALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL4750210 | 0.60 | EGFR (0.39) | KCNH2PTGS2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL17984232 | 0.60 | C5AR1 (0.38) | KCNH2ALDH1A1CYP1A2GAACYP2C9 | |
| SCHEMBL5818400 | 0.59 | 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 |