Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12340733 | 0.84 | OPRK1 (0.58) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL6622580 | 0.84 | OPRK1 (0.53) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL3508359 | 0.84 | CCR5 (0.66) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL10500680 | 0.81 | MEN1 (0.56) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL30413961 | 0.78 | OPRK1 (0.54) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL25709613 | 0.78 | MEN1 (0.58) | OPRK1MEN1KMT2ANPSR1HTR1A | |
| SCHEMBL17140589 | 0.78 | MEN1 (0.52) | OPRK1CCR5MEN1KMT2ANPSR1 | |
| SCHEMBL318741 | 0.78 | OPRK1 (0.83) | OPRK1CCR5HTR1AHTR2CADORA3 | |
| SCHEMBL566838 | 0.78 | MEN1 (0.61) | OPRK1MEN1KMT2ANPSR1HTR1A | |
| SCHEMBL23055440 | 0.78 | MEN1 (0.54) | OPRK1MEN1KMT2ANPSR1HTR2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | US | disclosed |
| EP-1802637-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-10-15 | — | — | EP | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1802637-A1 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006044504-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | 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-20080113966-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | OPRK1 73/4885CCR5 395/4885MEN1 1847/4885 |
“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.