Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 5/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL480411 | 0.90 | TRPA1 (0.58) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL2450859 | 0.89 | TRPA1 (0.48) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL480870 | 0.88 | TRPA1 (0.49) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL2450980 | 0.88 | RAB9A (0.47) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL4407872 | 0.87 | ABL1 (0.49) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL13570204 | 0.87 | TRPA1 (0.47) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL2443035 | 0.86 | MAPT (0.49) | TRPA1MAPTLMNAMAPK1RAB9A | |
| SCHEMBL2443409 | 0.85 | ABL1 (0.47) | TRPA1MAPTNPC1ALDH1A1LMNA | |
| SCHEMBL10139184 | 0.84 | TRPA1 (0.55) | TRPA1MAPTABL1PI4KBCLK1 | |
| SCHEMBL610617 | 0.84 | TRPA1 (0.60) | TRPA1MAPTABL1PI4KBCLK1 |
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-2011114184-A1 | AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-22 | — | — | WO | disclosed |
| WO-2009144548-A1 | IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2009-12-03 | — | — | WO | disclosed |