Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11619930 | 0.90 | ALDH1A1 (0.35) | CYP2D6CYP1A2CYP2C19HIF1AGAA | |
| SCHEMBL11621438 | 0.90 | ALDH1A1 (0.35) | CYP2D6CYP1A2CYP2C19HIF1AGAA | |
| SCHEMBL11616070 | 0.86 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP2C19HIF1AGAA | |
| SCHEMBL11619408 | 0.79 | ALDH1A1 (0.43) | GAAMEN1KMT2AHSD17B10TSHR | |
| SCHEMBL11619567 | 0.78 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP2C19HIF1AGAA | |
| SCHEMBL11619423 | 0.78 | ALDH1A1 (0.42) | GAAMEN1KMT2AHSD17B10TSHR | |
| SCHEMBL11616585 | 0.78 | CYP2D6 (0.40) | CYP2D6CYP1A2CYP2C19HIF1AGAA | |
| SCHEMBL11621099 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19HIF1ANPSR1 | |
| SCHEMBL11622343 | 0.76 | ALDH1A1 (0.41) | CYP2D6CYP1A2GAAMEN1KMT2A | |
| SCHEMBL11617119 | 0.76 | CYP2D6 (0.40) | CYP2D6CYP1A2HIF1AGAANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |