Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 4/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945821 | 0.97 | NR1I2 (0.42) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6945814 | 0.97 | NR1I2 (0.42) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL7884089 | 0.79 | NR1I2 (0.59) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6942333 | 0.78 | CACNA1F (0.49) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6942341 | 0.78 | CACNA1F (0.49) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL3032439 | 0.77 | MTOR (0.59) | NR1I2CACNA1CCYP2C9CYP1A2ADORA3 | |
| SCHEMBL6947901 | 0.77 | CYP2C9 (0.59) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6942347 | 0.76 | CACNA1F (0.47) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6942336 | 0.76 | CACNA1F (0.47) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S | |
| SCHEMBL6945825 | 0.76 | CACNA1F (0.47) | NR1I2CACNA1CCACNA1FCACNA1DCACNA1S |
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-0657431-B1 | 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity | BAYER AG (DE) | 2003-02-19 | — | — | EP | claimed |
| US-6066655-A | FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-05-23 | — | — | US | disclosed |
| US-5731333-A | LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |