Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952333 | 0.79 | PTGS1 (0.50) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL4083806 | 0.77 | PTGS1 (0.45) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3951876 | 0.77 | GABRA5 (0.48) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3952797 | 0.75 | PTGS1 (0.45) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3952892 | 0.74 | PTGS1 (0.44) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3951355 | 0.74 | PTGS1 (0.44) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3950863 | 0.74 | PTGS1 (0.44) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3952793 | 0.73 | PTGS1 (0.46) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3951095 | 0.73 | PTGS1 (0.43) | PTGS1PTGS2MAPTGABRA5KMT2A | |
| SCHEMBL3950875 | 0.73 | PTGS1 (0.43) | PTGS1PTGS2MAPTGABRA5KMT2A |
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 10 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 | claimed |
| US-7544704-B2 | Aryl-4-ethynyl-isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-06-09 | — | — | US | claimed |
| EP-2029559-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-04 | — | — | EP | claimed |
| US-20070287739-A1 | Aryl-4-ethynyl-isoxazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-13 | — | — | US | claimed |
| WO-2007137954-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-06 | — | — | WO | claimed |
| 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 | PTGS1 2858/4885PTGS2 3774/4885MAPT 383/4885 |
“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.