Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18594642 | 0.89 | HCRTR1 (0.42) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 | |
| SCHEMBL17723708 | 0.89 | NPC1 (0.48) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 | |
| SCHEMBL17069774 | 0.85 | HDAC4 (0.41) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 | |
| SCHEMBL18594628 | 0.81 | HDAC4 (0.39) | HCRTR1HCRTR2TRPM8PLK1OPRK1 | |
| SCHEMBL20911215 | 0.80 | NPC1 (0.48) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 | |
| SCHEMBL17071980 | 0.79 | RAB9A (0.49) | HCRTR1HCRTR2L3MBTL1PLK1RAB9A | |
| SCHEMBL14363635 | 0.79 | L3MBTL1 (0.47) | TRPM8L3MBTL1RAB9ATSHRNPC1 | |
| SCHEMBL17069771 | 0.78 | HCRTR1 (0.41) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 | |
| SCHEMBL17071987 | 0.77 | KMT2A (0.44) | HCRTR1HCRTR2TSHRHDAC4HDAC1 | |
| SCHEMBL17071983 | 0.77 | HCRTR1 (0.40) | HCRTR1HCRTR2TRPM8L3MBTL1PLK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9586950-B2 | 2-pyridyloxy-3-ester-4-nitrile orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20160304490-A1 | 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-10-20 | — | — | US | disclosed |
| US-20150252033-A1 | 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-09-10 | — | — | 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 (2 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-20150252033-A1 | 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NTSR2 | HCRTR1 2/4885HCRTR2 1/4885TRPM8 710/4885 |
| US-20160304490-A1 | 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY4R | HCRTR1 2/4885HCRTR2 1/4885TRPM8 465/4885 |
“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.