Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 12/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23740954 | 0.82 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL3422699 | 0.79 | CYP2D6 (0.50) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL17108650 | 0.75 | CYP2D6 (0.47) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL25917688 | 0.74 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL26184568 | 0.74 | CYP2D6 (0.46) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL24235262 | 0.74 | CYP2D6 (0.55) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL23741111 | 0.73 | — | — | |
| SCHEMBL18926689 | 0.72 | CYP2D6 (0.68) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL21661077 | 0.72 | CYP2D6 (0.49) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 | |
| SCHEMBL2608963 | 0.71 | CYP2D6 (0.43) | CYP2D6SMN1; SMN2PIK3CDALDH1A1CYP3A4 |
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-3448838-B1 | ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | BIOSPLICE THERAPEUTICS INC (US) | 2021-08-11 | — | — | EP | disclosed |