Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 11/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9524567 | 1.00 | BRD4 (0.41) | BRD4CREBBPLMNACYP3A4ADORA3 | |
| SCHEMBL9524555 | 1.00 | BRD4 (0.41) | BRD4CREBBPLMNACYP3A4ADORA3 | |
| SCHEMBL10778144 | 0.85 | AKR1C3 (0.42) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL10778149 | 0.85 | AKR1C3 (0.42) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL10778133 | 0.85 | AKR1C3 (0.42) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL9523862 | 0.82 | LMNA (0.39) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL9523854 | 0.82 | LMNA (0.39) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL9523870 | 0.82 | LMNA (0.39) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL9681769 | 0.81 | LMNA (0.44) | LMNACYP3A4ADORA3CYP2C9TBXAS1 | |
| SCHEMBL10837658 | 0.80 | LMNA (0.44) | LMNACYP3A4ADORA3CYP2C9TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0245918-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVES | GLAXO S.p.A. (IT) | 1993-05-05 | — | — | EP | disclosed |
| US-4946851-A | 1.4-dihydropyridines | GLAXO, S.P.A. (IT) | 1990-08-07 | — | — | US | disclosed |
| EP-0245918-A1 | 1,4-Dihydropyridine derivatives | GLAXO S.p.A. (IT) | 1987-11-19 | — | — | EP | disclosed |