Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 7/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518749 | 0.91 | BCHE (0.50) | LTA4HBCHETHRATHRBGAA | |
| SCHEMBL13146450 | 0.85 | LTA4H (0.51) | LTA4HBCHETHRATHRBGAA | |
| SCHEMBL9921239 | 0.84 | LTA4H (0.51) | LTA4HBCHETHRATHRBGAA | |
| SCHEMBL16418027 | 0.83 | LTA4H (0.56) | LTA4HTHRATHRBGAAALDH1A1 | |
| SCHEMBL13472645 | 0.82 | THRA (0.56) | BCHETHRATHRBGAAALDH1A1 | |
| SCHEMBL28953619 | 0.81 | LTA4H (0.48) | LTA4HBCHETHRATHRBGAA | |
| SCHEMBL9917385 | 0.79 | LTA4H (0.47) | LTA4HTHRATHRBCYP2C19ALDH1A1 | |
| SCHEMBL3277644 | 0.79 | LTA4H (0.51) | LTA4HTHRATHRBGAAALDH1A1 | |
| SCHEMBL18914467 | 0.78 | LTA4H (0.46) | LTA4HBCHETHRATHRBGAA | |
| SCHEMBL9921268 | 0.78 | LTA4H (0.52) | LTA4HGAAALDH1A1 |
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-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |