Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | AGER | Q15109 | 1/20 | 0.36 |
| ▸ | MBTPS1 | Q14703 | 3/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1750630 | 0.83 | SMYD2 (0.36) | SMYD2C5AR1PSMB5OPRM1SIGMAR1 | |
| SCHEMBL4705486 | 0.81 | C5AR1 (0.41) | SMYD2C5AR1OPRM1MBTPS1CYP3A4 | |
| SCHEMBL4700343 | 0.79 | CDK8 (0.43) | SIGMAR1CDK1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4704622 | 0.76 | CDK1 (0.40) | OPRM1SIGMAR1CDK1ALDH1A1CYP1A2 | |
| SCHEMBL1751268 | 0.72 | HTR2A (0.38) | PSMB5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4682630 | 0.71 | REN (0.46) | CYP3A4KCNH2 | |
| SCHEMBL1246997 | 0.71 | CDK1 (0.47) | SIGMAR1CDK1ALDH1A1 | |
| SCHEMBL18567998 | 0.70 | MBTPS1 (0.51) | C5AR1OPRM1AGERMBTPS1SLC6A2 | |
| SCHEMBL4704482 | 0.70 | MEN1 (0.44) | ALDH1A1 | |
| SCHEMBL661970 | 0.69 | REN (0.56) | CYP3A4KCNH2 |
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-1893578-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006129237-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-07 | — | — | WO | disclosed |