Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432526 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL224843 | 0.79 | SLC6A3 (0.54) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL518234 | 0.77 | MME (0.39) | CYP1A2CYP2C19MAPK1CYP2D6TSHR | |
| SCHEMBL6266551 | 0.77 | CYP1A2 (0.70) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL6472115 | 0.74 | MME (0.37) | KMT2AMEN1OPRK1 | |
| SCHEMBL5538602 | 0.74 | MME (0.39) | CYP1A2CYP2D6LMNAALDH1A1KMT2A | |
| SCHEMBL535200 | 0.74 | CYP2D6 (0.38) | CYP1A2CYP2C19MAPK1CYP2D6TSHR | |
| SCHEMBL2404618 | 0.73 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| SCHEMBL4855890 | 0.73 | CYP1A2 (0.74) | CYP1A2CYP2C19CYP2C9HPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL6926712 | 0.73 | MME (0.39) | CYP1A2CYP2D6LMNAALDH1A1KMT2A |
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 | CYP1A2 3279/4885CYP2C19 2738/4885CYP2C9 4573/4885 |
“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.