Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.40 |
| ▸ | FASN | P49327 | 2/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL12166183 | 0.83 | KMT2A (0.40) | EPHX2POLBKMT2A | |
| SCHEMBL12166188 | 0.81 | RECQL (0.46) | EPHX2ALDH1A1CYP3A4POLBKMT2A | |
| SCHEMBL12166185 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19POLBKMT2A | |
| SCHEMBL12526760 | 0.77 | EPHX2 (0.53) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL18754642 | 0.74 | EPHX2 (0.55) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL28171808 | 0.73 | EPHX2 (0.54) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL13503971 | 0.72 | GRM5 (0.69) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL12166178 | 0.72 | SMN1; SMN2 (0.45) | POLBKMT2A | |
| SCHEMBL16003042 | 0.71 | EPHX2 (0.62) | EPHX2PDK1PDK2PDK3PDK4 | |
| SCHEMBL12166174 | 0.71 | SMN1; SMN2 (0.44) | POLBKMT2A |
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 | EPHX2 678/4885PDK1 151/4885PDK2 242/4885 |
“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.