Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11590898 | 0.79 | CYP2D6 (0.56) | HRH3HRH4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL11590895 | 0.79 | CYP2D6 (0.56) | HRH3HRH4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL11622572 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP2C9HSD17B10TSHRCYP1A2 | |
| SCHEMBL11621191 | 0.74 | CYP2D6 (0.34) | CYP2D6CYP2C9HSD17B10TSHRCYP1A2 | |
| SCHEMBL11651228 | 0.70 | HRH3 (0.58) | HRH3HRH4CYP2D6CYP2C9HSD17B10 | |
| Hydrochloric Acid SCHEMBL11590509 | 0.69 | HRH3 (0.56) | HRH3HRH4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL11593330 | 0.68 | CYP2D6 (0.59) | CYP2D6CYP2C9HSD17B10TSHRCYP1A2 | |
| SCHEMBL11593327 | 0.68 | CYP2D6 (0.59) | CYP2D6CYP2C9HSD17B10TSHRCYP1A2 | |
| SCHEMBL11637310 | 0.68 | CYP2D6 (0.56) | HRH3HRH4CYP2D6CYP2C9HSD17B10 | |
| SCHEMBL7046104 | 0.68 | ALDH1A1 (0.58) | HRH3HRH4CYP2D6CYP2C9HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |