Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.56 |
| ▸ | CTSG | P08311 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12922282 | 0.95 | HTR2A (0.57) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12192094 | 0.92 | CYP3A4 (0.60) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12922293 | 0.87 | CYP3A4 (0.61) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12192090 | 0.85 | CYP3A4 (0.53) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12899620 | 0.85 | CYP3A4 (0.58) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12192129 | 0.85 | KCNH2 (0.48) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12192098 | 0.81 | CYP3A4 (0.54) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12922286 | 0.81 | CYP3A4 (0.54) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL15109267 | 0.80 | CYP3A4 (0.59) | HTR2ACTSGMAOADRD1CYP3A4 | |
| SCHEMBL12922309 | 0.80 | KCNH2 (0.49) | HTR2ACTSGMAOADRD1CYP3A4 |
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 |