Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.53 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.53 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913648 | 0.92 | ADORA3 (0.52) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL9235674 | 0.88 | CACNA1B (0.46) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL29676427 | 0.87 | NR1I2 (0.65) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL2615091 | 0.87 | NR1I2 (0.65) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL2615090 | 0.87 | NR1I2 (0.65) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL6950016 | 0.86 | ALOX15 (0.50) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL8790137 | 0.84 | TBXA2R (0.49) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL10894487 | 0.84 | ALDH1A1 (0.48) | ADORA3KDM4EKMT2AHSD17B10ALDH1A1 | |
| SCHEMBL8914719 | 0.84 | CYP2C9 (0.76) | ADORA3CACNA1CNR1I2CYP2C9CYP1A2 | |
| SCHEMBL11781673 | 0.83 | CACNA1C (0.56) | ADORA3CACNA1FCACNA1DCACNA1SCACNA1C |
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-5658934-A | Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |