Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 3/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | SCD5 | Q86SK9 | 4/20 | 0.39 |
| ▸ | SCD | O00767 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1905180 | 0.82 | NUDT1 (0.51) | NUDT1PIK3C3NR3C2SCD5SCD | |
| SCHEMBL1900466 | 0.74 | ADORA2A (0.38) | — | |
| SCHEMBL1908175 | 0.71 | BCAT2 (0.36) | — | |
| SCHEMBL29959318 | 0.70 | ADORA2A (0.39) | — | |
| SCHEMBL3971163 | 0.70 | ADORA2A (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL979249 | 0.69 | MAPK9 (0.38) | ROCK1 | |
| SCHEMBL23248737 | 0.68 | PTPN11 (0.45) | — | |
| SCHEMBL944492 | 0.68 | ROCK2 (0.46) | ROCK2ROCK1CDC42BPB | |
| SCHEMBL23067311 | 0.67 | MAP2K3 (0.50) | — | |
| SCHEMBL2848953 | 0.67 | ADORA2A (0.46) | — |
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-20110124663-A1 | SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | VANDERBILT UNIVERSITY | 2011-05-26 | — | — | 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-20110124663-A1 | SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION | GRM4, GRIA4, GRIK4 | NUDT1 2666/4885PIK3C3 4035/4885NR3C2 758/4885 |
“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.