Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 11/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL636055 | 0.75 | GSR (0.67) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL636056 | 0.75 | GSR (0.67) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10158082 | 0.74 | GSR (0.44) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10158087 | 0.74 | GSR (0.44) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10157955 | 0.72 | GSR (0.43) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL1919402 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL1919404 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL637107 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL637108 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE | |
| SCHEMBL10157707 | 0.70 | GSR (0.54) | GSRCA2ALDH1A1MAPTBCHE |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2369924-B1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | claimed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | claimed |
| EP-2369924-B1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| US-8530521-B2 | Nitrooxy cycloalkane derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-09-10 | — | — | US | disclosed |
| US-8530521-B2 | Nitrooxy cycloalkane derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-09-10 | — | — | US | disclosed |
| EP-2369924-A1 | NITROOXY CYCLOALKANE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2011-10-05 | — | — | EP | disclosed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | disclosed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | disclosed |
| WO-2010062415-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-06-03 | — | — | 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-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | AGTR2, AGTR1, NR3C2 | GSR 761/4885CA2 213/4885ALDH1A1 2413/4885 |
“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.