Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.65 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.64 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.64 |
| ▸ | APP | P05067 | 6/20 | 0.62 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.62 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587050 | 1.00 | CYP1A1 (0.65) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL19734612 | 0.94 | APP (0.70) | CYP1A1CYP1A2CYP1B1APPPDE4A | |
| SCHEMBL4411376 | 0.93 | PDCD1 (0.76) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL4411377 | 0.93 | PDCD1 (0.76) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL15963939 | 0.92 | APP (0.58) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL38661511 | 0.92 | NQO2 (0.66) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL28440910 | 0.92 | PDCD1 (0.60) | CYP1A1CYP1A2CYP1B1PDCD1CD274 | |
| SCHEMBL9085864 | 0.90 | PDCD1 (0.72) | PDCD1CD274APPPDE4APDE4B | |
| SCHEMBL9085876 | 0.90 | PDCD1 (0.72) | PDCD1CD274APPPDE4APDE4B | |
| SCHEMBL28447863 | 0.89 | CYP1A1 (0.62) | CYP1A1CYP1A2CYP1B1PDCD1CD274 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |