Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 8/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 6/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 6/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 6/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10502844 | 1.00 | PDE1C (0.38) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL11023305 | 0.90 | MTNR1A (0.40) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10734668 | 0.88 | PDE1C (0.47) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10730896 | 0.88 | PDE1C (0.47) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10368285 | 0.87 | ADORA3 (0.45) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10868953 | 0.84 | TP53 (0.38) | CACNA1CKMT2ATSHRMEN1TP53 | |
| SCHEMBL10517437 | 0.82 | NR1I2 (0.43) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10351329 | 0.81 | CYP1A2 (0.41) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10516700 | 0.81 | NR1I2 (0.44) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 | |
| SCHEMBL10734312 | 0.81 | PDE1C (0.50) | PDE1CCACNA1CADORA3CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0164010-B1 | 3-NITRO-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | BAYER AG (DE) | 1989-02-22 | — | — | EP | disclosed |
| EP-0164010-A2 | 3-Nitro-dihydropyridines, process for their preparation and their pharmaceutical use | BAYER AG (DE) | 1985-12-11 | — | — | EP | disclosed |