Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | AR | P10275 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15302870 | 0.85 | CYP2D6 (0.68) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Hydrochloric Acid SCHEMBL28000604 | 0.84 | LMNA (0.68) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11650506 | 0.84 | CYP2D6 (0.48) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11645598 | 0.82 | CYP2D6 (0.57) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11650219 | 0.82 | NOS3 (0.53) | CYP2D6LMNACYP3A4HTTNOS3 | |
| SCHEMBL28918892 | 0.81 | NOS2 (0.74) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11590950 | 0.81 | CYP2D6 (0.74) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| SCHEMBL11647178 | 0.80 | CYP2D6 (0.54) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Hydrochloric Acid SCHEMBL28918863 | 0.80 | NOS2 (0.73) | CYP2D6ABCB11ADORA3ARSLC6A2 | |
| Hydrochloric Acid SCHEMBL11591169 | 0.79 | CYP2D6 (0.72) | 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 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 |