Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263348 | 0.80 | TRPA1 (0.36) | NPC1PKM | |
| SCHEMBL9960578 | 0.75 | TRPA1 (0.34) | NPC1PKM | |
| SCHEMBL2486908 | 0.74 | TRPA1 (0.33) | NPC1PKM | |
| SCHEMBL10221874 | 0.70 | ERCC5 (0.45) | ERCC5FEN1 | |
| SCHEMBL2516435 | 0.69 | CTSA (0.30) | — | |
| SCHEMBL3266992 | 0.69 | CNR2 (0.35) | NPC1PKM | |
| SCHEMBL2473502 | 0.68 | PORCN (0.34) | ALDH1A1 | |
| SCHEMBL3266719 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL662588 | 0.66 | CTSA (0.40) | NPC1ALDH1A1 | |
| SCHEMBL4562114 | 0.66 | PORCN (0.44) | ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655377-A1 | 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS | Glenmark Pharmaceuticals S.A. (CH) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085662-A1 | 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2012-06-28 | — | — | WO | disclosed |