Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2436300 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR | |
| SCHEMBL2429011 | 1.00 | CYP3A4 (0.37) | CYP3A4CYP2C19ALDH1A1L3MBTL1TSHR | |
| SCHEMBL2432832 | 0.88 | EPHX1 (0.39) | TSHRHTTEPHX1DPP4DPP7 | |
| SCHEMBL2433259 | 0.88 | EPHX1 (0.39) | TSHRHTTEPHX1DPP4DPP7 | |
| SCHEMBL2439849 | 0.84 | HRH3 (0.36) | CTSSKDM4E | |
| SCHEMBL2426781 | 0.84 | SIGMAR1 (0.31) | — | |
| SCHEMBL2437542 | 0.83 | KDM4E (0.41) | ALDH1A1L3MBTL1EPHX1DPP4DPP7 | |
| SCHEMBL2429692 | 0.83 | KDM4E (0.41) | ALDH1A1L3MBTL1EPHX1DPP4DPP7 | |
| SCHEMBL2432266 | 0.80 | KDM4E (0.38) | ALDH1A1L3MBTL1EPHX1DPP4DPP7 | |
| SCHEMBL2430033 | 0.78 | TP53 (0.34) | ALDH1A1KDM4E |
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 | CYP3A4 4102/4885CYP2C19 2738/4885ALDH1A1 4731/4885 |
“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.