Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL127369 | 0.83 | IDO1 (0.69) | IDO1ALDH1A1TSHR | |
| SCHEMBL131361 | 0.83 | ALDH1A1 (0.67) | IDO1TRPA1ALDH1A1TSHRCES2 | |
| SCHEMBL11198220 | 0.77 | TDP1 (0.55) | IDO1 | |
| SCHEMBL374827 | 0.75 | — | — | |
| SCHEMBL7561165 | 0.75 | — | — | |
| SCHEMBL4845244 | 0.75 | — | — | |
| SCHEMBL5885289 | 0.73 | ALDH1A1 (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL679626 | 0.73 | TSHR (0.56) | IDO1TRPA1ALDH1A1TSHRCES2 | |
| SCHEMBL2220712 | 0.73 | TRPA1 (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL9609757 | 0.73 | TSHR (0.56) | IDO1TRPA1ALDH1A1TSHRCES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9290465-B2 | Substituted isoxazole amine compounds as inhibitors of SCD1 | HOFFMANN-LA ROCHE INC. (US) | 2016-03-22 | — | — | US | disclosed |
| US-20150315160-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | HOFFMANN-LA ROCHE INC. | 2015-11-05 | — | — | US | disclosed |
| EP-2925408-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | F. Hoffmann-La Roche AG (CH) | 2015-10-07 | — | — | EP | disclosed |
| WO-2014086667-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-12 | — | — | 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-20150315160-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | SCD, CPT1A, SCD5 | IDO1 198/4885TRPA1 2387/4885ALDH1A1 69/4885 |
“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.