Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11757293 | 1.00 | CYP2D6 (0.61) | CYP2D6CYP3A4CYP2C19PSEN1PSEN2 | |
| SCHEMBL6545035 | 0.89 | CYP3A4 (0.48) | CYP2D6CYP3A4CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL19427415 | 0.89 | CYP3A4 (0.49) | CYP2D6CYP3A4CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL11447599 | 0.86 | CYP3A4 (0.46) | CYP2D6CYP3A4CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL11465395 | 0.85 | CYP3A4 (0.45) | CYP2D6CYP3A4CYP2C19SMN1; SMN2GAA | |
| SCHEMBL11755929 | 0.85 | HSD11B1 (0.46) | CYP2D6CYP3A4CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL16596978 | 0.80 | BCHE (0.53) | CYP2D6BCHEACHEHRH3 | |
| SCHEMBL2067120 | 0.80 | BCHE (0.53) | CYP2D6BCHEACHEHRH3 | |
| SCHEMBL8477000 | 0.78 | CYP3A4 (0.39) | CYP2D6CYP3A4CYP2C19SMN1; SMN2BCHE | |
| SCHEMBL19427387 | 0.77 | TP53 (0.40) | CYP2D6CYP3A4CYP2C19SMN1; SMN2L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0315886-B1 | Isoquinoline derivatives, their manufacture and use | HOFFMANN LA ROCHE (CH) | 1995-02-15 | — | — | EP | disclosed |
| US-4857648-A | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 1989-08-15 | — | — | US | disclosed |
| EP-0315886-A2 | Isoquinoline derivatives, their manufacture and use | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-17 | — | — | EP | disclosed |