Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MERTK | Q12866 | 1/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13425737 | 0.93 | KCNH2 (0.46) | KCNH2ADORA2AADORA2BADORA1TRIM33 | |
| SCHEMBL3434434 | 0.90 | KCNH2 (0.40) | KCNH2ADORA2AADORA2BADORA1TRIM33 | |
| SCHEMBL13425773 | 0.90 | KCNH2 (0.43) | KCNH2ADORA2AADORA2BADORA1TRIM33 | |
| SCHEMBL13425821 | 0.89 | KCNH2 (0.41) | KCNH2ADORA2AADORA2BADORA1TRIM33 | |
| SCHEMBL13425734 | 0.88 | ADORA2B (0.48) | ADORA2AADORA2BADORA1CYP1A2CYP3A4 | |
| SCHEMBL3394361 | 0.86 | KDR (0.41) | KCNH2CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL13425543 | 0.86 | NR1H4 (0.37) | ADORA1CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL13425809 | 0.85 | KCNH2 (0.49) | KCNH2GSK3AGSK3BCYP1A2CYP3A4 | |
| SCHEMBL13425775 | 0.83 | GPR84 (0.38) | ADORA1GSK3AGSK3BCCNB2CDK1 | |
| SCHEMBL13425741 | 0.82 | KDR (0.37) | ADORA2AADORA2BADORA1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |