Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.43 |
| ▸ | KCNQ1 | P51787 | 3/20 | 0.43 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL119912 | 0.87 | NOS3 (0.57) | NOS3NOS2S1PR1S1PR3TRPA1 | |
| SCHEMBL29624449 | 0.87 | NOS3 (0.57) | NOS3NOS2S1PR1S1PR3TRPA1 | |
| SCHEMBL29364836 | 0.85 | KCNQ3 (0.53) | KCNQ3KCNQ2KCNQ1KCNE1TRPA1 | |
| SCHEMBL41029 | 0.85 | KCNQ3 (0.53) | KCNQ3KCNQ2KCNQ1KCNE1TRPA1 | |
| Formaldehyde SCHEMBL28046297 | 0.80 | KCNQ3 (0.53) | KCNQ3KCNQ2KCNQ1KCNE1TRPA1 | |
| Methylene Chloride SCHEMBL28144830 | 0.80 | GRM4 (0.49) | KCNQ3KCNQ2KCNQ1KCNE1TRPA1 | |
| SCHEMBL21665290 | 0.79 | RECQL (0.34) | S1PR1S1PR3TRPA1NR3C1ALDH1A1 | |
| Pyridine SCHEMBL28228735 | 0.77 | KCNQ3 (0.48) | KCNQ3KCNQ2KCNQ1KCNE1KMT2A | |
| SCHEMBL19455006 | 0.76 | MKNK1 (0.35) | NR3C1ALDH1A1GAAL3MBTL1 | |
| SCHEMBL8115424 | 0.75 | KCNQ3 (0.45) | KCNQ3KCNQ2KCNQ1KCNE1TRPA1 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575901-B1 | SUBSTITUTED AMIDES | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| EP-1496838-B1 | SUBSTITUTED AMIDES | MERCK SHARP & DOHME (US) | 2010-11-03 | — | — | EP | disclosed |
| US-7816534-B2 | Substituted amides | MERCK SHARP & DOHME CORP. (US) | 2010-10-19 | — | — | US | disclosed |
| US-20090258884-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| US-7576239-B2 | Substituted amides | MERCK & CO., INC. (US) | 2009-08-18 | — | — | US | disclosed |
| US-7550489-B2 | Substituted pyridyoxy amides | MERCK & CO., INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-20090137529-A1 | SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. | 2009-05-28 | — | — | US | disclosed |
| EP-1575901-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2009-03-18 | — | — | EP | disclosed |
| EP-2019593-A1 | PRO-DRUGS OF TERTIARY ALCOHOLS | Merck & Co., Inc. (US) | 2009-02-04 | — | — | EP | disclosed |
| US-20080194645-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2008-08-14 | — | — | US | disclosed |
| US-7348456-B2 | Substituted amides | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| WO-2007136571-A1 | PRO-DRUGS OF TERTIARY ALCOHOLS | MERCK & CO., INC. (US) | 2007-11-29 | — | — | WO | disclosed |
| US-20060106071-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | US | disclosed |
| US-6972295-B2 | Substituted amides | MERCK & CO., INC. (US) | 2005-12-06 | — | — | US | disclosed |
| US-20050234061-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2005-10-20 | — | — | US | disclosed |
| EP-1575901-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (a New Jersey corp.) (US) | 2005-09-21 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2004058145-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| US-20040058820-A1 | Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis | MERCK SHARP & DOHME LLC | 2004-03-25 | — | — | US | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | 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 (6 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-20060106071-A1 | Substituted amides | CNR1, CNR2, FAAH | NOS3 3322/4885NOS2 3015/4885S1PR1 591/4885 |
| US-20080194645-A1 | Substituted amides | CNR1, CNR2, FAAH | NOS3 3322/4885NOS2 3015/4885S1PR1 591/4885 |
| US-20040058820-A1 | Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis | CNR1, CNR2, MAG | NOS3 2766/4885NOS2 2675/4885S1PR1 431/4885 |
| US-20090137529-A1 | SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS | CNR1, CNR2, CHRNA10 | NOS3 3967/4885NOS2 4257/4885S1PR1 314/4885 |
| US-20090258884-A1 | Substituted amides | CNR1, CNR2, FAAH | NOS3 3322/4885NOS2 3015/4885S1PR1 591/4885 |
| US-20050234061-A1 | Substituted amides | CNR1, CNR2, FAAH | NOS3 3322/4885NOS2 3015/4885S1PR1 591/4885 |
“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.