Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.76 |
| ▸ | DRD3 | P35462 | 3/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.76 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.76 |
| ▸ | PGR | P06401 | 2/20 | 0.76 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.76 |
| ▸ | HTT | P42858 | 1/20 | 0.76 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.76 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680058 | 1.00 | CYP2C9 (0.76) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| Bromide SCHEMBL9681016 | 0.99 | CYP2C9 (0.75) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9680650 | 0.91 | ADORA3 (0.82) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9680656 | 0.91 | ADORA3 (0.82) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| Bromide SCHEMBL9682305 | 0.90 | ADORA3 (0.80) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9681739 | 0.89 | ADORA3 (0.78) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9681743 | 0.89 | ADORA3 (0.78) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9681706 | 0.88 | CYP2C9 (0.76) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9681710 | 0.88 | CYP2C9 (0.76) | CYP2C9SLC6A2DRD3KCNH2ADORA3 | |
| SCHEMBL9680051 | 0.87 | SLC6A2 (0.85) | CYP2C9SLC6A2DRD3KCNH2ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5162345-A | Dihydropyridinedicarboxylate Derivatives | GLAXO, S.P.A. (IT) | 1992-11-10 | — | — | US | claimed |
| US-5162345-A | Dihydropyridinedicarboxylate Derivatives | GLAXO, S.P.A. (IT) | 1992-11-10 | — | — | US | disclosed |