Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.32 |
| ▸ | PKLR | P30613 | 3/20 | 0.32 |
| ▸ | TAS2R8 | Q9NYW2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21590753 | 0.86 | GABRA1 (0.43) | GRIN1GRIN2BGABRA5PTGDR2TAS2R8 | |
| SCHEMBL21590748 | 0.84 | GABRA5 (0.48) | GRIN1GRIN2BGABRA5PTGDR2ALDH1A1 | |
| SCHEMBL21590862 | 0.84 | GABRA5 (0.42) | GRIN1GRIN2BGABRA5PTGDR2ALDH1A1 | |
| SCHEMBL21590539 | 0.84 | TRPA1 (0.33) | GRIN1GRIN2BTAS2R8ALDH1A1LMNA | |
| SCHEMBL21590754 | 0.82 | GABRA5 (0.44) | GABRA5PTGDR2NPSR1 | |
| SCHEMBL21590716 | 0.81 | GABRA5 (0.36) | GRIN1GRIN2BGABRA5TAS2R8ALDH1A1 | |
| SCHEMBL21590500 | 0.81 | PTGDR2 (0.33) | GRIN1GRIN2BGABRA5PTGDR2TAS2R8 | |
| SCHEMBL21590956 | 0.81 | GABRA5 (0.38) | GRIN1GRIN2BGABRA5ALDH1A1 | |
| SCHEMBL21590511 | 0.81 | GABRA1 (0.46) | — | |
| SCHEMBL21590685 | 0.81 | GABRA1 (0.40) | GRIN1GRIN2BGABRA5PTGDR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11840528-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-12-12 | — | — | US | disclosed |
| US-11840528-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-12-12 | — | — | US | disclosed |
| US-11840528-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-12-12 | — | — | US | disclosed |
| EP-3807269-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| US-20210094945-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2021-04-01 | — | — | US | disclosed |
| US-20210094945-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2021-04-01 | — | — | US | disclosed |
| CN-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2021-02-26 | — | — | CN | disclosed |
| WO-2019238633-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |
| WO-2019238633-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | 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 (2 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-11840528-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | GABRA5, GABRA2, GABRB2 | GRIN1 63/4885GRIN2B 34/4885GABRA5 1/4885 |
| US-20210094945-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | GABRA5, GABRB2, GABRB1 | GRIN1 55/4885GRIN2B 45/4885GABRA5 1/4885 |
“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.