Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31694534 | 0.89 | CYP2C19 (0.53) | CYP2C19KCNH2CYP2C9S1PR1PTGDR | |
| SCHEMBL30060450 | 0.88 | CYP2C19 (0.52) | CYP2C19KCNH2CYP2C9S1PR1PTGDR | |
| SCHEMBL23611535 | 0.88 | CYP2C19 (0.52) | CYP2C19KCNH2CYP2C9S1PR1PTGDR | |
| SCHEMBL21614696 | 0.78 | CYP2C19 (0.54) | CYP2C19KCNH2CYP2C9S1PR1HDAC3 | |
| SCHEMBL30060458 | 0.74 | CYP2C19 (0.52) | CYP2C19KCNH2CYP2C9HDAC3HDAC1 | |
| SCHEMBL23611317 | 0.74 | CYP2C19 (0.52) | CYP2C19KCNH2CYP2C9HDAC3HDAC1 | |
| SCHEMBL23611318 | 0.72 | CYP2C19 (0.51) | CYP2C19KCNH2CYP2C9S1PR1HDAC3 | |
| SCHEMBL23611234 | 0.72 | CYP2C19 (0.51) | CYP2C19KCNH2CYP2C9TP53 | |
| SCHEMBL30062257 | 0.72 | CYP2C19 (0.51) | CYP2C19KCNH2CYP2C9S1PR1HDAC3 | |
| SCHEMBL30062377 | 0.72 | CYP2C19 (0.51) | CYP2C19KCNH2CYP2C9TP53 |
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-2021136805-A1 | NOVEL PqsR INVERSE AGONISTS | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2021-07-08 | — | — | WO | disclosed |