Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C2 | P08235 | 3/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11695185 | 0.94 | NR3C2 (0.48) | NR3C2ADORA3CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL7158453 | 0.92 | ADORA3 (0.55) | ADORA3CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6947811 | 0.90 | CYP1A2 (0.56) | NR3C2ADORA3CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL9765706 | 0.89 | NR3C2 (0.51) | NR3C2ADORA3CACNA1CNPSR1KDM4E | |
| SCHEMBL11823990 | 0.89 | KDM4E (0.54) | NR3C2CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7163495 | 0.89 | CACNA1C (0.58) | NR3C2ADORA3CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL7158466 | 0.87 | ADORA3 (0.64) | ADORA3CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11859054 | 0.87 | ADORA3 (0.51) | ADORA3CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11838730 | 0.86 | CYP2C9 (0.50) | ADORA3CYP2C9CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11805341 | 0.86 | GAA (0.56) | CYP2C9CYP3A4CYP2C19NPSR1KDM4E |
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-3932645-A | CORONARY VASODILATORS, HYPOTENSIVE AGENTS | FARBENFABRIKEN BAYER AG (DT) | 1976-01-13 | — | — | US | disclosed |