Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.57 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.57 |
| ▸ | DRD3 | P35462 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681727 | 1.00 | CYP2C9 (0.57) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9680996 | 0.91 | CYP2C9 (0.59) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9680991 | 0.91 | CYP2C9 (0.59) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9681567 | 0.89 | CYP2C9 (0.47) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL9681563 | 0.88 | CYP2C9 (0.46) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9681531 | 0.87 | CYP2C9 (0.55) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9681537 | 0.87 | CYP2C9 (0.55) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9737405 | 0.85 | CYP2C9 (0.60) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9737396 | 0.85 | CYP2C9 (0.60) | CYP2C9ADORA3CYP3A4CYP2C19LMNA | |
| SCHEMBL9680880 | 0.84 | LMNA (0.52) | CYP2C9ADORA3CYP3A4CYP2C19LMNA |
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 3 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 | disclosed |
| US-5091395-A | Hypotensive agents | GLAXO S.P.A. (IT) | 1992-02-25 | — | — | US | disclosed |
| EP-0226271-B1 | 1,4-DIHYDROPYRIDINE COMPOUNDS AND THEIR PREPARATION AND PHARMACEUTICAL FORMULATION | GLAXO S.p.A. (IT) | 1990-11-22 | — | — | EP | disclosed |