Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12166179 | 0.79 | EPHX2 (0.37) | KMT2APOLBMAPT | |
| SCHEMBL12166182 | 0.78 | LMNA (0.35) | ALDH1A1 | |
| SCHEMBL12188108 | 0.77 | EPHX2 (0.47) | ALDH1A1CYP2C9CYP2C19KMT2APOLB | |
| SCHEMBL12166183 | 0.77 | KMT2A (0.40) | HTTKMT2APOLBGAA | |
| SCHEMBL12166188 | 0.77 | RECQL (0.46) | ALDH1A1HTTKMT2APOLBGAA | |
| SCHEMBL12166176 | 0.75 | GAA (0.40) | KMT2AGAA | |
| SCHEMBL12166178 | 0.73 | SMN1; SMN2 (0.45) | KMT2APOLBGAA | |
| SCHEMBL10274564 | 0.70 | ALDH1A1 (0.70) | ALDH1A1CYP2C9CYP2C19HTR2BMAPK14 | |
| SCHEMBL13163156 | 0.70 | ALDH1A1 (0.70) | ALDH1A1CYP2C9CYP2C19HTR2BMAPK14 | |
| SCHEMBL10722320 | 0.69 | HTT (0.89) | ALDH1A1CYP2C9CYP2C19HTR2BMAPK14 |
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 | ALDH1A1 1102/4885CYP2C9 3304/4885CYP2C19 2574/4885 |
“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.