Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | KIF11 | P52732 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11810 | 0.88 | POLB (0.36) | KCNH3HTTHPGDKIF11ALDH1A1 | |
| SCHEMBL11984 | 0.84 | ALDH1A1 (0.35) | KCNH3HTTHPGDKIF11ALDH1A1 | |
| SCHEMBL14661 | 0.69 | ALDH1A1 (0.40) | KCNH3KIF11ALDH1A1TDP1GAA | |
| SCHEMBL11954696 | 0.68 | TRPA1 (0.33) | KCNH3 | |
| SCHEMBL9913 | 0.68 | TRPA1 (0.33) | KCNH3 | |
| SCHEMBL9914 | 0.68 | TRPA1 (0.33) | KCNH3 | |
| SCHEMBL11895749 | 0.68 | TRPA1 (0.33) | KCNH3 | |
| SCHEMBL2905 | 0.68 | TRPA1 (0.37) | KCNH3HTTHPGDALDH1A1TDP1 | |
| SCHEMBL11954736 | 0.68 | TRPA1 (0.37) | KCNH3HTTHPGDALDH1A1TDP1 | |
| SCHEMBL14682 | 0.68 | TRPA1 (0.37) | KCNH3HTTHPGDALDH1A1TDP1 |
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-2485737-B1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |