Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824543 | 0.91 | GNAI3 (0.33) | GNAI3GNAO1GNAI1HRH3 | |
| SCHEMBL9824547 | 0.91 | GNAI3 (0.33) | GNAI3GNAO1GNAI1HRH3 | |
| SCHEMBL3897698 | 0.77 | SPHK2 (0.41) | HRH3ALDH1A1S1PR1S1PR3S1PR5 | |
| SCHEMBL9824005 | 0.75 | HRH3 (0.35) | HRH3CXCR4ALDH1A1ADH1BADH1C | |
| SCHEMBL10706159 | 0.74 | S1PR1 (0.39) | S1PR1S1PR3S1PR5 | |
| SCHEMBL9035633 | 0.74 | CYP1A2 (0.50) | HRH3CXCR4ADH1BADH1CADH1A | |
| SCHEMBL10566971 | 0.73 | HTT (0.37) | ALDH1A1S1PR1S1PR3S1PR5HTT | |
| SCHEMBL9824698 | 0.73 | S1PR1 (0.35) | ALDH1A1S1PR1S1PR3S1PR5HTT | |
| SCHEMBL9824706 | 0.73 | S1PR1 (0.35) | ALDH1A1S1PR1S1PR3S1PR5HTT | |
| SCHEMBL5009345 | 0.73 | MAPK1 (0.41) | CYP2D6ALDH1A1S1PR1S1PR3S1PR5 |
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-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |