Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.43 |
| ▸ | ACACB | O00763 | 14/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12166222 | 0.82 | HRH3 (0.43) | ACACB | |
| SCHEMBL15362464 | 0.75 | CTSS (0.38) | CTSSACACBCCR6 | |
| SCHEMBL12166220 | 0.74 | ACACB (0.43) | ACACB | |
| SCHEMBL18754556 | 0.74 | CTSS (0.51) | CTSSACACB | |
| SCHEMBL12166221 | 0.71 | ACACB (0.32) | ACACB | |
| SCHEMBL12166223 | 0.71 | HRH3 (0.33) | ACACB | |
| SCHEMBL2810240 | 0.71 | CTSS (0.47) | CTSSACACBCCR6 | |
| SCHEMBL12166218 | 0.71 | LPL (0.34) | — | |
| SCHEMBL12166225 | 0.70 | NOTUM (0.38) | ACACB | |
| SCHEMBL19011543 | 0.70 | CTSS (0.45) | CTSS |
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 3 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 |
| WO-2012122077-A1 | PRIMARY AMINE DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | WO | 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 | CTSS 4665/4885ACACB 2811/4885CCR6 3585/4885 |
“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.