Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20812669 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CACNA1HCYP2D6KCNH2 | |
| SCHEMBL20330100 | 0.72 | SLC6A2 (0.35) | ALDH1A1KCNH2 | |
| SCHEMBL20621819 | 0.72 | KCNH2 (0.36) | CYP2D6KCNH2 | |
| SCHEMBL20621876 | 0.71 | HTT (0.34) | CYP2D6KCNH2 | |
| SCHEMBL17776649 | 0.70 | ACKR3 (0.52) | ALDH1A1 | |
| SCHEMBL26949296 | 0.69 | KCNH2 (0.37) | CYP2D6KCNH2 | |
| SCHEMBL27323802 | 0.69 | KCNH2 (0.37) | CYP2D6KCNH2 | |
| SCHEMBL17827393 | 0.69 | KCNH2 (0.37) | CYP2D6KCNH2 | |
| SCHEMBL14454184 | 0.69 | DRD2 (0.35) | CYP2D6 | |
| SCHEMBL12932707 | 0.67 | HTT (0.34) | ALDH1A1CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3221306-B1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-11-13 | — | — | EP | disclosed |