Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 4/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10309 | 0.85 | POLB (0.43) | KCNH3CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL14609 | 0.75 | ALDH1A1 (0.49) | ALDH1A1GAASMN1; SMN2POLBMAPT | |
| SCHEMBL10168 | 0.74 | POLB (0.38) | ALDH1A1KCNH3GAAPOLBSLC6A9 | |
| SCHEMBL22271628 | 0.73 | ALDH1A1 (0.47) | ALDH1A1GAASMN1; SMN2POLBMAPT | |
| SCHEMBL11984 | 0.72 | ALDH1A1 (0.35) | ALDH1A1KCNH3GAASMN1; SMN2POLB | |
| SCHEMBL24426777 | 0.71 | ALDH1A1 (0.49) | ALDH1A1GAASMN1; SMN2POLBMAPT | |
| SCHEMBL22781478 | 0.71 | ALDH1A1 (0.49) | ALDH1A1GAASMN1; SMN2POLBMAPT | |
| SCHEMBL30887532 | 0.71 | ALDH1A1 (0.65) | ALDH1A1GAASMN1; SMN2POLBTDP1 | |
| SCHEMBL11854 | 0.71 | ALDH1A1 (0.39) | ALDH1A1GAASMN1; SMN2POLBLMNA | |
| SCHEMBL31618342 | 0.71 | KCNH3 (0.42) | ALDH1A1KCNH3GAASMN1; SMN2POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |