Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17679285 | 0.82 | PTGDR2 (0.40) | PDK2PTGDR2HCRTR1HCRTR2RIPK1 | |
| SCHEMBL17682015 | 0.81 | PTGDR2 (0.42) | PDK1PDK2PTGDR2CES2CES1 | |
| SCHEMBL1334357 | 0.81 | HPGD (0.46) | PDK1PDK2PTGDR2CES2CES1 | |
| SCHEMBL16836614 | 0.80 | KEAP1 (0.47) | PDK1PDK2PTGDR2CES2CES1 | |
| SCHEMBL17679284 | 0.78 | PTGDR2 (0.45) | PTGDR2HPGDHCRTR1HCRTR2 | |
| SCHEMBL1740214 | 0.78 | PTGDR2 (0.42) | PDK1PDK2PTGDR2CES2CES1 | |
| SCHEMBL16836609 | 0.77 | SLC6A3 (0.45) | PDK1PDK2PTGDR2HPGDL3MBTL1 | |
| SCHEMBL27527604 | 0.77 | PTGDR2 (0.43) | PDK1PDK2PTGDR2CES2CES1 | |
| SCHEMBL17448843 | 0.76 | HSD11B1 (0.44) | HCRTR1HCRTR2HSD11B1 | |
| SCHEMBL13151879 | 0.75 | CES2 (0.61) | CES2CES1L3MBTL1RIPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | 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-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR2 | PDK1 1901/4885PDK2 1846/4885PTGDR2 250/4885 |
“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.