Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30075732 | 0.76 | ACHE (0.48) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL12070264 | 0.75 | HCRTR2 (0.43) | EPHX1SMYD3ALDH1A1 | |
| SCHEMBL13740556 | 0.75 | EPHX1 (0.39) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL970930 | 0.74 | ACHE (0.64) | ACHEEPHX1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL22495697 | 0.74 | HCRTR2 (0.42) | EPHX1SMYD3ALDH1A1 | |
| SCHEMBL3707047 | 0.73 | SMYD3 (0.45) | SMYD3 | |
| SCHEMBL8170280 | 0.73 | MEN1 (0.57) | ACHEALDH1A1 | |
| SCHEMBL7051358 | 0.73 | GNAI3 (0.49) | ACHE | |
| SCHEMBL30802452 | 0.72 | GAA (0.44) | ACHEEPHX1ALDH1A1 | |
| SCHEMBL30136046 | 0.72 | EPHX1 (0.37) | ACHEEPHX1ALDH1A1 |
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-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | MERCK PATENT GMBH (DE) | 2021-06-17 | — | — | US | disclosed |
| US-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | MERCK PATENT GMBH (DE) | 2021-05-11 | — | — | US | disclosed |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | EMD SERONO RESEARCH AND DEVELOPMENT, INC. | 2020-10-08 | — | — | 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 (3 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-11001561-B2 | Pyrimidinone derivatives as SHP2 antagonists | PTPN5, PTPN1, PTPN2 | ACHE 4885/4885EPHX1 2252/4885SMYD3 1342/4885 |
| US-20210179565-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | PTPN5, PTPN1, PTPN2 | ACHE 4885/4885EPHX1 2252/4885SMYD3 1342/4885 |
| US-20200317622-A1 | PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS | PTPN5, PTPN1, PTPN2 | ACHE 4885/4885EPHX1 2252/4885SMYD3 1342/4885 |
“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.