Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL11620870 | 0.84 | SLC6A4 (0.43) | SIGMAR1SLC6A4ABCB11ADORA3AR | |
| SCHEMBL11620438 | 0.83 | PRKCI (0.48) | PRKCIACHESIGMAR1SLC6A4ABCB11 | |
| Hydrochloric Acid SCHEMBL11620555 | 0.81 | ACHE (0.50) | PRKCIACHESIGMAR1SLC6A4ABCB11 | |
| SCHEMBL11622585 | 0.81 | PRKCI (0.39) | PRKCIACHESIGMAR1CYP2D6HTT | |
| SCHEMBL11618901 | 0.78 | SLC6A2 (0.51) | SIGMAR1SLC6A4ABCB11ADORA3AR | |
| SCHEMBL11624624 | 0.77 | PRKCI (0.43) | PRKCIACHESIGMAR1SLC6A4ABCB11 | |
| Hydrochloric Acid SCHEMBL11634772 | 0.76 | ACHE (0.45) | PRKCIACHESIGMAR1SLC6A4ABCB11 | |
| SCHEMBL11620848 | 0.75 | CYP2D6 (0.71) | SIGMAR1SLC6A4ABCB11ADORA3AR | |
| SCHEMBL11620856 | 0.74 | ACHE (0.43) | PRKCIACHESLC6A4CYP2D6SLC6A2 | |
| SCHEMBL1408378 | 0.71 | PRKCI (0.57) | PRKCIACHESLC6A4ARSLC6A2 |
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 |