Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 11/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL535855 | 0.76 | ADORA3 (0.49) | SMN1; SMN2PTGS1ALDH1A1 | |
| SCHEMBL1226970 | 0.75 | ESR1 (0.56) | GABRA5FFAR4ESR1ESR2PTGS1 | |
| SCHEMBL31526337 | 0.71 | PTGS1 (0.47) | GABRA5FFAR4SMN1; SMN2PTGS1PTGS2 | |
| SCHEMBL107436 | 0.70 | PTGS1 (0.58) | GABRA5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL536352 | 0.68 | PTGS2 (0.41) | GABRA5PTGS1PTGS2ALDH1A1 | |
| SCHEMBL31526143 | 0.67 | PTGS2 (0.63) | GABRA5SMN1; SMN2PTGS1PTGS2ALDH1A1 | |
| SCHEMBL31526149 | 0.66 | NR1H4 (0.55) | GABRA5PTGS1PTGS2 | |
| SCHEMBL536351 | 0.65 | NR1H4 (0.41) | GABRA5 | |
| SCHEMBL12168909 | 0.65 | NR1H4 (0.46) | ALDH1A1 | |
| SCHEMBL12000494 | 0.64 | PTGS1 (0.53) | PTGS1PTGS2ALDH1A1 |
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-2414354-B1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | HOFFMANN LA ROCHE (CH) | 2012-12-12 | — | — | EP | disclosed |
| US-8222246-B2 | Substituted isoxazoles | HOFFMANN-LA ROCHE INC. (US) | 2012-07-17 | — | — | US | disclosed |
| EP-2414354-A1 | Hydroxy-methyl isoxazole derivatives as gaba a modulators | F. Hoffmann-La Roche AG (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112475-A1 | HYDROXY-METHYL ISOXAZOLE DERIVATIVES AS GABA A MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-07 | — | — | WO | disclosed |
| US-20100256127-A1 | SUBSTITUTED ISOXAZOLES | ROCHE PALO ALTO LLC | 2010-10-07 | — | — | 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-20100256127-A1 | SUBSTITUTED ISOXAZOLES | GABRA5, GABRA1, GABRA3 | GABRA5 1/4885FFAR4 281/4885ESR1 1377/4885 |
“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.