Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1334357 | 0.85 | HPGD (0.46) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL16836614 | 0.84 | KEAP1 (0.47) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL27426924 | 0.82 | PTGDR2 (0.36) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL1740214 | 0.82 | PTGDR2 (0.42) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL17679283 | 0.81 | PDK1 (0.43) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL27527604 | 0.81 | PTGDR2 (0.43) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL16836609 | 0.81 | SLC6A3 (0.45) | PTGDR2PDK1PDK2HPGDL3MBTL1 | |
| SCHEMBL17682016 | 0.80 | DRD2 (0.44) | PTGDR2HPGDL3MBTL1HCRTR1HCRTR2 | |
| SCHEMBL27848651 | 0.79 | PTGDR2 (0.49) | PTGDR2CES2CES1PDK1PDK2 | |
| SCHEMBL16449430 | 0.78 | PTGDR2 (0.46) | PTGDR2CES2HPGD |
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 | PTGDR2 250/4885CES2 1395/4885CES1 2109/4885 |
“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.