Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1804322 | 0.93 | CHRNB2 (0.41) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL29768055 | 0.83 | SMN1; SMN2 (0.41) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL21380508 | 0.81 | CHRNB2 (0.39) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL1651109 | 0.79 | CHRNB2 (0.39) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL25338412 | 0.77 | CYP2C19 (0.65) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL9960236 | 0.77 | CHRNB2 (0.42) | CYP2C19CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL25287945 | 0.77 | CYP2C19 (0.70) | CYP2C19APLNRSMN1; SMN2SLC6A4ALDH1A1 | |
| SCHEMBL9977777 | 0.77 | SMN1; SMN2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9977722 | 0.77 | SMN1; SMN2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9977775 | 0.77 | SMN1; SMN2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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-2493304-A1 | SPIROLACTAM DERIVATIVES AND USES OF SAME | H. Lundbeck A/S (DK) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011053575-A1 | SPIROLACTAM DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2011-05-05 | — | — | WO | disclosed |