Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 7/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9781777 | 0.81 | P2RX3 (0.46) | ACHEMEN1KMT2A | |
| SCHEMBL3339215 | 0.81 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL31525960 | 0.81 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL9362791 | 0.81 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL202980 | 0.81 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL27348013 | 0.80 | ACHE (0.70) | CYP3A4LMNAACHEPARP1 | |
| SCHEMBL3876902 | 0.80 | LMNA (0.54) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL5540850 | 0.79 | CYP3A4 (0.58) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL2468235 | 0.79 | CYP3A4 (0.58) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL2913612 | 0.79 | CYP3A4 (0.58) | CYP3A4LMNAACHEPARP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |
| US-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |