Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11645598 | 0.89 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11644806 | 0.84 | NOS2 (0.55) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11593315 | 0.83 | CYP2D6 (0.80) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11647085 | 0.80 | CYP2D6 (0.59) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11650767 | 0.80 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11650506 | 0.79 | CYP2D6 (0.48) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11651513 | 0.77 | CYP1A2 (0.43) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11651519 | 0.77 | CYP1A2 (0.43) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL11591660 | 0.75 | CYP2D6 (0.78) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 | |
| SCHEMBL27869099 | 0.74 | LMNA (0.55) | CYP2D6CYP1A2CYP2C19HIF1AHSD17B10 |
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-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |