Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.75 |
| ▸ | DRD3 | P35462 | 3/20 | 0.75 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.75 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.75 |
| ▸ | HTT | P42858 | 1/20 | 0.75 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.75 |
| ▸ | PGR | P06401 | 1/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.75 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.75 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.75 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
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 SCHEMBL9681582 | 0.99 | SLC6A2 (0.74) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Hydrochloric Acid SCHEMBL9681586 | 0.99 | SLC6A2 (0.74) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Hydrochloric Acid SCHEMBL9680466 | 0.98 | ADORA3 (0.73) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| SCHEMBL9680037 | 0.93 | SLC6A2 (0.73) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Hydrochloric Acid SCHEMBL9681056 | 0.92 | KCNH2 (0.70) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| SCHEMBL9680051 | 0.87 | SLC6A2 (0.85) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| SCHEMBL9680055 | 0.87 | SLC6A2 (0.85) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Lacidipine SCHEMBL49277 | 0.86 | CYP2C9 (1.00) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Lacidipine SCHEMBL29352892 | 0.86 | CYP2C9 (1.00) | SLC6A2DRD3KCNH2ADORA3OPRK1 | |
| Lacidipine SCHEMBL49278 | 0.86 | CYP2C9 (1.00) | SLC6A2DRD3KCNH2ADORA3OPRK1 |
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 |