Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | ACSS2 | Q9NR19 | 7/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 4/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12922309 | 0.95 | KCNH2 (0.49) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12192092 | 0.85 | HTR2A (0.56) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12192109 | 0.84 | CYP3A4 (0.48) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12922304 | 0.83 | CYP3A4 (0.53) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL15109368 | 0.82 | KCNH2 (0.54) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12922282 | 0.80 | HTR2A (0.57) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12192114 | 0.79 | KCNH2 (0.46) | KCNH2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL12899577 | 0.77 | KCNH2 (0.56) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12192128 | 0.77 | KCNH2 (0.54) | KCNH2CTSGMAOADRD1HTR2A | |
| SCHEMBL12192094 | 0.77 | CYP3A4 (0.60) | KCNH2CTSGMAOADRD1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8030309-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-04 | — | — | US | disclosed |