Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29628993 | 0.87 | SCN5A (0.54) | SCN5AAKR1C2AKR1C1CA12CA9 | |
| SCHEMBL10059900 | 0.80 | PDE10A (0.51) | GRIN2BSCN5ATRPV1CCR6KCNH2 | |
| SCHEMBL255377 | 0.79 | P2RX1 (0.50) | GRIN2BTRPV1CCR6KCNH2 | |
| SCHEMBL29893341 | 0.79 | P2RX1 (0.50) | GRIN2BTRPV1CCR6KCNH2 | |
| SCHEMBL30363971 | 0.79 | ABL1 (0.54) | TAAR1SCN5ACA12CA9AURKA | |
| SCHEMBL1241524 | 0.79 | ABL1 (0.54) | TAAR1SCN5ACA12CA9AURKA | |
| SCHEMBL1029424 | 0.79 | HSD17B1 (0.61) | SCN5AAKR1C2AKR1C1ESR2AURKA | |
| SCHEMBL5544095 | 0.79 | SCN5A (0.48) | SCN5AAKR1C2AKR1C1DHODHCA12 | |
| SCHEMBL5544105 | 0.79 | SCN5A (0.48) | SCN5APDK2CA12CA9AURKA | |
| SCHEMBL18293362 | 0.78 | KIF11 (0.50) | GRIN2BSCN5AAKR1C2AKR1C1AURKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318760-B2 | Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20080161347-A1 | Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use | MERCK & CO., INC. (US) | 2008-07-03 | — | — | US | disclosed |
| EP-1863755-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | Merck & Co., Inc. (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102067-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES | MERCK & CO., INC. (US) | 2006-09-28 | — | — | 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-20080161347-A1 | Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use | GPR119, PNLIP, SLC5A2 | GRIN2B 1964/4885TAAR1 3231/4885SCN5A 1918/4885 |
“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.