Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11637310 | 0.79 | CYP2D6 (0.56) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11620471 | 0.79 | CYP2D6 (0.71) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11620714 | 0.78 | HRH3 (0.55) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11618532 | 0.77 | CYP2D6 (0.73) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11593176 | 0.76 | CYP2D6 (0.71) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Hydrochloric Acid SCHEMBL11688073 | 0.75 | ALDH1A1 (0.58) | CYP2D6SIGMAR1LMNACYP3A4HTT | |
| Hydrochloric Acid SCHEMBL11592525 | 0.75 | CYP2D6 (0.69) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11619385 | 0.74 | ALDH1A1 (0.53) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11620394 | 0.73 | CYP2D6 (0.75) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL13907693 | 0.72 | CYP2D6 (0.79) | 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 |