Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11619567 | 0.93 | CYP2D6 (0.56) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11617119 | 0.89 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL15078791 | 0.89 | CYP2D6 (0.60) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11616585 | 0.89 | CYP2D6 (0.40) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11617126 | 0.86 | CYP2D6 (0.46) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11618832 | 0.81 | CYP2D6 (0.43) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11622343 | 0.81 | ALDH1A1 (0.41) | CYP2D6SLC6A2SLC6A4LMNAHTT | |
| SCHEMBL11621660 | 0.78 | ABCB11 (0.46) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11624639 | 0.77 | ABCB11 (0.43) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11620922 | 0.77 | ALDH1A1 (0.42) | CYP2D6ABCB11ADORA3ARSLC6A2 |
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 |