Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3210075 | 0.82 | NPC1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL16462724 | 0.82 | PROKR1 (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL586754 | 0.81 | NPC1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| Benzene SCHEMBL28160719 | 0.81 | NPC1 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL1472474 | 0.78 | CHRNB2 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL7602039 | 0.75 | SETD7 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL12320787 | 0.75 | CHRNB2 (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL10266800 | 0.73 | CHRNB2 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL2490804 | 0.73 | CHRNB2 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 | |
| SCHEMBL2079886 | 0.71 | CHRNB2 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19CHRNB2 |
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 9 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-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |
| US-8389720-B2 | Quinolone neuropeptide S receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-05 | — | — | US | disclosed |
| EP-2365749-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-09-21 | — | — | EP | disclosed |
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-09-01 | — | — | US | disclosed |
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-09-01 | — | — | US | disclosed |
| US-20110212946-A1 | Quinolone Neuropeptide S Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-09-01 | — | — | US | disclosed |
| WO-2010056564-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010056564-A1 | QUINOLONE NEUROPEPTIDE S RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | 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 | ALDH1A1 4731/4885CYP1A2 3279/4885CYP2C9 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.