Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 9/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MPL | P40238 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | PRKACA | P17612 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21484818 | 0.81 | ABL1 (0.60) | ROCK2TRPA1ROCK1HTTMPL | |
| SCHEMBL474817 | 0.78 | KMT2A (0.60) | TRPA1ROCK1MPLPRKACAMEN1 | |
| SCHEMBL480743 | 0.78 | KMT2A (0.60) | TRPA1MPLMEN1KMT2A | |
| SCHEMBL13671680 | 0.78 | TRPA1 (0.78) | ROCK2TRPA1ROCK1 | |
| SCHEMBL23379867 | 0.77 | ROCK2 (1.00) | ROCK2 | |
| SCHEMBL15241211 | 0.76 | TRPA1 (0.71) | ROCK2TRPA1ROCK1 | |
| SCHEMBL1802327 | 0.76 | TRPA1 (1.00) | TRPA1 | |
| SCHEMBL13175081 | 0.76 | TRPA1 (0.82) | TRPA1 | |
| SCHEMBL474777 | 0.75 | TRPA1 (0.81) | TRPA1 | |
| SCHEMBL3798207 | 0.75 | TRPA1 (0.78) | TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011132017-A1 | PYRIDO[3,4-D]PYRIMIDINYL ACETAMIDE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | claimed |
| EP-2411396-A2 | THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2012-02-01 | — | — | EP | disclosed |