Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | UGCG | Q16739 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SRC | P12931 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2318109 | 0.91 | PTGS2 (0.46) | PTGS2ESR1ESR2MCHR1FFAR4 | |
| SCHEMBL2320146 | 0.87 | PTGS2 (0.42) | PTGS2ESR1ESR2FFAR4GABRA5 | |
| SCHEMBL2317325 | 0.85 | ESR1 (0.48) | PTGS2ESR1ESR2FFAR4MAPT | |
| SCHEMBL2319376 | 0.85 | PTGS2 (0.46) | PTGS2ESR1ESR2FFAR4GABRA5 | |
| SCHEMBL2318424 | 0.84 | PTGS2 (0.44) | PTGS2ESR1ESR2FFAR4GABRA5 | |
| SCHEMBL2318591 | 0.83 | MAP4K4 (0.50) | PTGS2ESR1ESR2FFAR4GABRA5 | |
| SCHEMBL2321253 | 0.83 | PTGS2 (0.43) | PTGS2ESR1ESR2FFAR4BRAF | |
| SCHEMBL2318362 | 0.83 | GABRA5 (0.52) | PTGS2FFAR4GABRA5LMNATP53 | |
| SCHEMBL2318205 | 0.81 | MAP4K4 (0.41) | PTGS2ESR1ESR2FFAR4LMNA | |
| SCHEMBL3646920 | 0.81 | PTGS2 (0.43) | PTGS2ESR1ESR2MCHR1FFAR4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170873-B1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-08-10 | — | — | EP | claimed |
| US-7851469-B2 | Isoxazole-imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-12-14 | — | — | US | claimed |
| US-20090005370-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-01-01 | — | — | US | claimed |
| EP-2170873-B1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-08-10 | — | — | EP | disclosed |
| US-7851469-B2 | Isoxazole-imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-12-14 | — | — | US | disclosed |
| US-20090005370-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-01-01 | — | — | 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-20090005370-A1 | ISOXAZOLE-IMIDAZOLE DERIVATIVES | GABRA5, GABRA1, GABRA4 | PTGS2 2317/4885ESR1 721/4885ESR2 814/4885 |
“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.