Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9681563 | 0.99 | CYP2C9 (0.46) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9681543 | 0.93 | ADORA3 (0.48) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9681737 | 0.89 | CYP2C9 (0.57) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9681727 | 0.89 | CYP2C9 (0.57) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9682274 | 0.88 | ADORA3 (0.49) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9682267 | 0.88 | ADORA3 (0.49) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9682394 | 0.87 | ADORA3 (0.48) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9682388 | 0.87 | ADORA3 (0.48) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9681783 | 0.84 | CYP2C9 (0.46) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 | |
| SCHEMBL9681777 | 0.84 | CYP2C9 (0.46) | CYP2C9CYP3A4SLC6A2DRD3KCNH2 |
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-5162345-A | Dihydropyridinedicarboxylate Derivatives | GLAXO, S.P.A. (IT) | 1992-11-10 | — | — | US | disclosed |