Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2453828 | 0.93 | ABL1 (0.48) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL4410358 | 0.89 | ABL1 (0.47) | ABL1MAPTPI4KBTRPA1ROCK2 | |
| SCHEMBL480411 | 0.87 | TRPA1 (0.58) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL2443035 | 0.85 | MAPT (0.49) | ABL1MAPTRAB9ALMNAMAPK1 | |
| SCHEMBL2453455 | 0.85 | TRPA1 (0.49) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL2450859 | 0.83 | TRPA1 (0.48) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL2439686 | 0.83 | TRPA1 (0.53) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL480792 | 0.83 | TRPA1 (0.61) | ABL1MAPTNPC1RAB9API4KB | |
| SCHEMBL2450980 | 0.83 | RAB9A (0.47) | ABL1MAPTNPC1RAB9ALMNA | |
| SCHEMBL13570204 | 0.82 | TRPA1 (0.47) | ABL1MAPTNPC1RAB9ALMNA |
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-2011114184-A1 | AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-22 | — | — | WO | disclosed |