Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2321253 | 0.91 | PTGS2 (0.43) | ESR1ESR2PTGS2GRM5FFAR4 | |
| SCHEMBL2317793 | 0.90 | MAP4K4 (0.39) | ESR1ESR2PTGS2GRM5PTGS1 | |
| SCHEMBL2318319 | 0.89 | ESR1 (0.52) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2317325 | 0.87 | ESR1 (0.48) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2319847 | 0.87 | ESR1 (0.48) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2318956 | 0.86 | ESR1 (0.47) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2470915 | 0.84 | PTGS2 (0.47) | PTGS2NPC1RAB9ANLRP3GRM5 | |
| SCHEMBL2318759 | 0.83 | ESR1 (0.45) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2324037 | 0.83 | ESR1 (0.47) | ESR1ESR2PTGS2NPC1RAB9A | |
| SCHEMBL2321221 | 0.82 | ESR1 (0.46) | ESR1ESR2PTGS2NPC1RAB9A |
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 | ESR1 721/4885ESR2 814/4885PTGS2 2317/4885 |
“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.