Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2427131 | 0.84 | — | — | |
| SCHEMBL2435594 | 0.80 | IDO1 (0.35) | CYP3A4LMNA | |
| SCHEMBL2437368 | 0.75 | SIRT1 (0.31) | — | |
| SCHEMBL2428429 | 0.75 | SIGMAR1 (0.47) | LMNA | |
| SCHEMBL2434332 | 0.72 | — | — | |
| SCHEMBL32690457 | 0.69 | KDM1A (0.44) | PDK1PDK2PDK3PDK4CYP3A4 | |
| SCHEMBL5906965 | 0.68 | CETP (0.40) | PDK1PDK2PDK3PDK4CYP3A4 | |
| SCHEMBL2435591 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL2434337 | 0.66 | P2RX7 (0.31) | — | |
| SCHEMBL2913178 | 0.66 | GAA (0.44) | CYP3A4MAPK1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-09-01 | — | — | 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-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | NPSR1, NPY1R, NPY2R | PDK1 4679/4885PDK2 4407/4885PDK3 4244/4885 |
“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.