Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 4/20 | 0.31 |
| ▸ | NOS2 | P35228 | 4/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370 | 0.81 | ALDH1A1 (0.39) | ALDH1A1NOS1NOS2NOS3 | |
| SCHEMBL13576632 | 0.75 | NOS1 (0.47) | NOS1NOS2NOS3 | |
| SCHEMBL20836994 | 0.72 | — | — | |
| SCHEMBL9956815 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL9133835 | 0.69 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL472174 | 0.69 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL13481285 | 0.68 | — | — | |
| SCHEMBL20788802 | 0.68 | — | — | |
| SCHEMBL19448835 | 0.67 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL13576612 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8829196-B2 | TRPA1 antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-09-09 | — | — | US | disclosed |
| EP-2485737-B1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2485737-A1 | NOVEL TRPA1 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-08-15 | — | — | EP | disclosed |
| US-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | SCHERING CORPORATION | 2012-08-02 | — | — | US | disclosed |
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | 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-20120196894-A1 | NOVEL TRPA1 ANTAGONISTS | TRPA1, TRPV1, TRPV2 | ALDH1A1 3703/4885NOS1 2819/4885NOS2 2993/4885 |
“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.