Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1712573 | 0.78 | KCNH2 (0.46) | KCNH2 | |
| SCHEMBL21494203 | 0.78 | EGFR (0.33) | MELKEGFR | |
| SCHEMBL30775559 | 0.75 | PIK3CD (0.35) | MELKEGFR | |
| SCHEMBL16804755 | 0.73 | MELK (0.36) | MELKPTGER4EGFR | |
| SCHEMBL4305654 | 0.73 | KCNH2 (0.35) | KCNH2KDM4E | |
| SCHEMBL22996915 | 0.72 | KCNH2 (0.37) | KCNH2 | |
| SCHEMBL3858430 | 0.70 | KCNH2 (0.41) | KCNH2 | |
| SCHEMBL2822669 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL9955167 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL14978386 | 0.67 | ALDH1A1 (0.41) | MELKCYP2C19EGFRKDM4E |
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-3783000-B1 | MACROCYCLIC KINASE INHIBITOR | HITGEN INC (CN) | 2022-07-06 | — | — | EP | disclosed |
| EP-3783000-A1 | MACROCYCLIC KINASE INHIBITOR | Hitgen Inc. (CN) | 2021-02-24 | — | — | EP | disclosed |