Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 13/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12166224 | 0.89 | HSD11B1 (0.41) | ROCK2MCHR1 | |
| SCHEMBL17011349 | 0.80 | ROCK2 (0.48) | ROCK2MCHR1MAPTDRD2DRD3 | |
| SCHEMBL12166233 | 0.78 | MCHR1 (0.35) | MCHR1 | |
| SCHEMBL12166229 | 0.78 | MCHR1 (0.33) | MCHR1 | |
| SCHEMBL15362421 | 0.71 | HSD11B1 (0.40) | ROCK2MCHR1 | |
| SCHEMBL17011138 | 0.71 | HSD11B1 (0.40) | ROCK2MCHR1 | |
| SCHEMBL12166231 | 0.71 | HRH3 (0.36) | — | |
| SCHEMBL17011137 | 0.69 | MCHR1 (0.35) | ROCK2MCHR1MAPT | |
| SCHEMBL15362424 | 0.69 | MCHR1 (0.35) | ROCK2MCHR1MAPT | |
| SCHEMBL8568619 | 0.69 | ROCK2 (0.56) | ROCK2MCHR1MAPTDRD2DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8361994-B2 | Primary amine diazeniumdiolate heterocyclic derivatives | MERCK SHARP & DOHME CORP (US) | 2013-01-29 | — | — | US | disclosed |
| US-20120232039-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | US | 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-20120232039-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | EDNRA, PAH, EDNRB | ROCK2 864/4885MCHR1 3536/4885MAPT 2663/4885 |
“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.