Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 9/20 | 0.45 |
| ▸ | NPC1 | O15118 | 8/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.42 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | BLVRB | P30043 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6901661 | 0.89 | NPC1 (0.51) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL17069772 | 0.85 | PDK2 (0.45) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL20169439 | 0.85 | BDKRB1 (0.47) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL6901655 | 0.85 | HCRTR1 (0.53) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL18594627 | 0.81 | PDK2 (0.42) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL2642361 | 0.79 | PDK2 (0.49) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL2642358 | 0.79 | NPC1 (0.49) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL11921136 | 0.79 | L3MBTL1 (0.51) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL2642324 | 0.79 | L3MBTL1 (0.51) | PDK2RAB9ANPC1SMN1; SMN2GAA | |
| SCHEMBL17071981 | 0.78 | L3MBTL1 (0.45) | PDK2RAB9ANPC1SMN1; SMN2GAA |
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 | PDK2 1869/4885RAB9A 3166/4885NPC1 638/4885 |
| US-20160304490-A1 | 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY4R | PDK2 1300/4885RAB9A 2705/4885NPC1 1279/4885 |
“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.