Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.72 |
| ▸ | DRD1 | P21728 | 1/20 | 0.72 |
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3506766 | 0.89 | MTNR1B (0.69) | DRD2DRD1MTNR1BCYP3A4CYP2D6 | |
| SCHEMBL31538834 | 0.89 | LMNA (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19PDE4D | |
| SCHEMBL13064945 | 0.89 | LMNA (0.68) | MTNR1BCYP3A4CYP2D6CYP2C19PDE4D | |
| SCHEMBL16627051 | 0.89 | MTNR1B (0.61) | DRD2DRD1KCNH2MTNR1BCYP3A4 | |
| SCHEMBL9587165 | 0.87 | DRD2 (0.66) | DRD2DRD1BCHEACHEKCNH2 | |
| (S)-Reticuline SCHEMBL147597 | 0.84 | DRD2 (1.00) | DRD2DRD1BCHEACHEKCNH2 | |
| (S)-Reticuline SCHEMBL147596 | 0.84 | DRD2 (1.00) | DRD2DRD1BCHEACHEKCNH2 | |
| (R)-Reticuline SCHEMBL29373552 | 0.84 | DRD2 (1.00) | DRD2DRD1BCHEACHEKCNH2 | |
| (S)-Reticuline SCHEMBL29923953 | 0.84 | DRD2 (1.00) | DRD2DRD1BCHEACHEKCNH2 | |
| (R)-Reticuline SCHEMBL29364903 | 0.84 | DRD2 (1.00) | DRD2DRD1BCHEACHEKCNH2 |
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-0613879-A1 | PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT | TSUMURA & CO. (JP) | 1994-09-07 | — | — | EP | disclosed |
| US-5272270-A | Process for the preparation of 1-alkylisoquinoline derivatives | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 1993-12-21 | — | — | US | disclosed |
| EP-0471303-A1 | Process for the preparation of 1-alkylisoquinoline derivatives | Consortium für elektrochemische Industrie GmbH (DE) | 1992-02-19 | — | — | EP | disclosed |