Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.62 |
| ▸ | GABRP | O00591 | 7/20 | 0.62 |
| ▸ | GABRD | O14764 | 7/20 | 0.62 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.62 |
| ▸ | GABRB1 | P18505 | 7/20 | 0.62 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.62 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.62 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.62 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.62 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.62 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.62 |
| ▸ | GABRA4 | P48169 | 7/20 | 0.62 |
| ▸ | GABRE | P78334 | 7/20 | 0.62 |
| ▸ | GABRA6 | Q16445 | 7/20 | 0.62 |
| ▸ | GABRG1 | Q8N1C3 | 7/20 | 0.62 |
| ▸ | GABRG3 | Q99928 | 7/20 | 0.62 |
| ▸ | GABRQ | Q9UN88 | 7/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6197153 | 0.78 | GRM5 (1.00) | GRM5GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3950799 | 0.75 | GABRG2 (0.72) | GRM5GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3950470 | 0.71 | GABRG2 (0.69) | GRM5GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3952417 | 0.69 | PTGS1 (0.43) | GABRA5PTGS1PTGS2 | |
| SCHEMBL3952797 | 0.68 | PTGS1 (0.45) | GABRA5TSHRPTGS1PTGS2 | |
| SCHEMBL3952333 | 0.67 | PTGS1 (0.50) | GABRA5PTGS1PTGS2 | |
| SCHEMBL3950875 | 0.66 | PTGS1 (0.43) | GABRA5PTGS1PTGS2 | |
| SCHEMBL3952793 | 0.66 | PTGS1 (0.46) | GABRA5TSHRPTGS1PTGS2 | |
| SCHEMBL3950844 | 0.66 | PTGS1 (0.45) | GABRA5TSHRPTGS1PTGS2NPSR1 | |
| SCHEMBL3952338 | 0.66 | PTGS1 (0.42) | GABRA5PTGS1PTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029559-B1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-08-05 | — | — | EP | disclosed |
| US-7544704-B2 | Aryl-4-ethynyl-isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-06-09 | — | — | US | disclosed |
| EP-2029559-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-04 | — | — | EP | disclosed |
| US-20070287739-A1 | Aryl-4-ethynyl-isoxazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-13 | — | — | US | disclosed |
| WO-2007137954-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-06 | — | — | WO | 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-20070287739-A1 | Aryl-4-ethynyl-isoxazole derivatives | GABRA5, GABRA4, GABRA1 | GRM5 21/4885GABRP 19/4885GABRD 18/4885 |
“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.