Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL17815700 | 0.84 | CHRNB4 (0.35) | PDE4BCHRNB4CHRNA3 | |
| SCHEMBL20820257 | 0.82 | MCHR1 (0.39) | MCHR1NOS3NOS1PDE4BCHRNB4 | |
| SCHEMBL17815743 | 0.81 | IDH1 (0.36) | CHRNB4CHRNA3 | |
| SCHEMBL17815786 | 0.79 | LRRK2 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL17815736 | 0.79 | SCN9A (0.33) | PDE4BCHRNB4CHRNA3 | |
| SCHEMBL11396539 | 0.78 | ALDH1A1 (0.53) | CHRNB4CHRNA3 | |
| SCHEMBL17815782 | 0.76 | IDH1 (0.34) | CHRNB4CHRNA3 | |
| SCHEMBL20116553 | 0.76 | KDM4E (0.51) | — | |
| SCHEMBL15831918 | 0.76 | XDH (0.43) | MCHR1CCNA2CDK2CCNA1AR | |
| SCHEMBL25510522 | 0.76 | TRPV1 (0.40) | MCHR1NOS3NOS1CCNB2CDK1 |
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-20160159815-A1 | Fused Piperidine Amides as Modulators of Ion Channels | VERTEX PHARMACEUTICALS INCORPORATED | 2016-06-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160159815-A1 | Fused Piperidine Amides as Modulators of Ion Channels | TRPV1, TRPA1, KCNJ2 | MCHR1 4162/4885NOS3 3117/4885NOS1 3722/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.