Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL6030353 | 0.83 | LMNA (0.48) | CYP1A2LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL21893501 | 0.77 | MAPK10 (0.46) | PTGS2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2360545 | 0.74 | MEN1 (0.46) | PTGS2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5336030 | 0.73 | MAPT (0.64) | PTGS2KMT2ALMNASMN1; SMN2MEN1 | |
| SCHEMBL29204525 | 0.73 | SMO (0.40) | KMT2ALMNAMEN1POLBMAPT | |
| SCHEMBL3356061 | 0.72 | TDP1 (0.65) | PTGS2KMT2ALMNASMN1; SMN2MEN1 | |
| SCHEMBL24655967 | 0.71 | PPARA (0.41) | PTGS2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL21849226 | 0.71 | PSEN1 (0.39) | PTGS2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3954089 | 0.70 | PTGS2 (0.39) | PTGS2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL15760229 | 0.70 | KMT2A (0.76) | KMT2ALMNASMN1; SMN2MEN1NPC1 |
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 | GPR52 393/4885PTGS2 3774/4885PSEN1 87/4885 |
“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.