Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL2662277 | 0.85 | AURKA (0.48) | PTPN1HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL31722992 | 0.83 | ADORA2A (0.39) | CA1CA2CYP1A2CA9ADORA2A | |
| SCHEMBL8766960 | 0.82 | NQO2 (0.53) | NQO2PTPN1TRPM4CA1CA2 | |
| SCHEMBL27404562 | 0.81 | ADORA2A (0.38) | CA1CA2CYP1A2CA9ADORA2A | |
| Ammonia Solution, Strong SCHEMBL27454136 | 0.81 | NQO2 (0.52) | NQO2PTPN1TRPM4CA1CA2 | |
| SCHEMBL30064989 | 0.80 | NQO2 (0.43) | NQO2PTPN1TRPM4CYP1A2ADORA2A | |
| SCHEMBL2656359 | 0.80 | NQO2 (0.43) | NQO2PTPN1TRPM4CYP1A2ADORA2A | |
| SCHEMBL7154183 | 0.79 | CISD1 (0.51) | NQO2PTPN1TRPM4CA1CA2 | |
| SCHEMBL22529356 | 0.79 | ADORA2A (0.39) | CA1CA2CA9ADORA2AADORA1 | |
| SCHEMBL26185538 | 0.78 | PDE4A (0.38) | CA1CA2CA9ADORA2AADORA1 |
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-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 |
| CN-101146762-A | Substituted aryl and heteroaryl derivatives | MERCK & CO INC (US) | 2008-03-19 | — | — | CN | 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 | NQO2 603/4885PTPN1 1961/4885TRPM4 4737/4885 |
“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.