Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11592069 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP2C9HSD17B10HRH3HRH4 | |
| SCHEMBL11593176 | 0.86 | CYP2D6 (0.71) | CYP2D6CYP2C9HSD17B10HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL11592525 | 0.84 | CYP2D6 (0.69) | CYP2D6CYP2C9HSD17B10HRH3HRH4 | |
| SCHEMBL11590895 | 0.84 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10HRH3HRH4 | |
| SCHEMBL11590898 | 0.84 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10HRH3HRH4 | |
| SCHEMBL11591366 | 0.82 | CYP2D6 (0.61) | CYP2D6CYP2C9HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL11591370 | 0.82 | CYP2D6 (0.61) | CYP2D6CYP2C9HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL11591474 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10ABCB11ADORA3 | |
| SCHEMBL11591472 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP2C9HSD17B10ABCB11ADORA3 | |
| SCHEMBL11590262 | 0.77 | CYP2D6 (0.58) | CYP2D6CYP2C9HSD17B10HRH3HRH4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4113777-A | ANTISECRETORY, ANTITUSSIVE, ANTIULCER | BOEHRINGER INGELHEIM GMBH (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |