Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31586696 | 0.91 | ALDH1A1 (0.42) | ACHEALDH1A1CYP1A2NOS3NOS1 | |
| SCHEMBL13424563 | 0.73 | ACHE (0.44) | ACHEALDH1A1CYP1A2KDM4E | |
| SCHEMBL23795001 | 0.72 | ALDH1A1 (0.45) | ACHEALDH1A1CYP1A2NOS3NOS1 | |
| SCHEMBL4926313 | 0.69 | NOS3 (0.60) | ACHENOS3NOS1NOS2KDM4E | |
| SCHEMBL29770726 | 0.69 | NOS3 (0.55) | ACHEALDH1A1CYP1A2NOS3NOS1 | |
| SCHEMBL4928360 | 0.69 | NOS3 (0.55) | ACHEALDH1A1CYP1A2NOS3NOS1 | |
| SCHEMBL31586704 | 0.69 | NOS3 (0.50) | ACHEALDH1A1CYP1A2NOS3NOS1 | |
| SCHEMBL29515900 | 0.69 | MAP4K1 (0.34) | ALDH1A1KDM4E | |
| SCHEMBL2712057 | 0.68 | ACHE (0.44) | ACHE | |
| SCHEMBL15444686 | 0.68 | ACHE (0.44) | ACHEALDH1A1CYP1A2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180085358-A1 | CHROMANE, ISOCHROMANE AND DIHYDROISOBENZOFURAN DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-03-29 | — | — | 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-20180085358-A1 | CHROMANE, ISOCHROMANE AND DIHYDROISOBENZOFURAN DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRM2, GRIN2A, GRIA2 | ACHE 327/4885ALDH1A1 4204/4885CYP1A2 648/4885 |
“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.