Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 16/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20813847 | 0.81 | NOTUM (0.46) | NOTUMKEAP1CYP19A1PTGER4 | |
| SCHEMBL27114432 | 0.75 | NOTUM (0.50) | NOTUMKEAP1CYP19A1PTGER4 | |
| SCHEMBL24067417 | 0.71 | NOTUM (0.43) | NOTUMKEAP1CYP19A1PTGER4 | |
| SCHEMBL20605170 | 0.71 | NOTUM (0.45) | NOTUMKEAP1CYP19A1PTGER4 | |
| SCHEMBL10447781 | 0.70 | NOTUM (0.78) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL18544879 | 0.69 | GAK (0.44) | — | |
| SCHEMBL3681868 | 0.69 | NOTUM (0.64) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL7404546 | 0.68 | NOTUM (0.58) | NOTUMKEAP1CYP19A1 | |
| SCHEMBL1164215 | 0.68 | NOTUM (0.53) | NOTUMKEAP1CYP19A1 | |
| Iodide SCHEMBL11565912 | 0.68 | GAK (0.43) | — |
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-2021023888-A1 | ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B.C.I. PHARMA (BE) | 2021-02-11 | — | — | WO | disclosed |