Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.51 |
| ▸ | TRPC3 | Q13507 | 2/20 | 0.49 |
| ▸ | TRPC7 | Q9HCX4 | 2/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | JAK1 | P23458 | 2/20 | 0.48 |
| ▸ | TYK2 | P29597 | 2/20 | 0.48 |
| ▸ | JAK3 | P52333 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2524272 | 0.89 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL2523964 | 0.88 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL5277014 | 0.84 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL16648631 | 0.84 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL2527184 | 0.83 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL20135557 | 0.79 | TRPC3 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL19385266 | 0.78 | USP30 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL171077 | 0.78 | GRIN2B (0.64) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL25291831 | 0.76 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 | |
| SCHEMBL16648425 | 0.76 | USP30 (0.50) | SMN1; SMN2NPC1RAB9ACYP2C19USP30 |
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 | SMN1; SMN2 4622/4885NPC1 1171/4885RAB9A 1226/4885 |
“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.