Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.72 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.72 |
| ▸ | HTR2C | P28335 | 1/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.72 |
| ▸ | HRH1 | P35367 | 1/20 | 0.72 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.72 |
| ▸ | DRD3 | P35462 | 1/20 | 0.72 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.72 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12013918 | 0.86 | CYP1A2 (0.72) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| Moxisylyte SCHEMBL456546 | 0.84 | ADRA1D (1.00) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| Moxisylyte SCHEMBL317080 | 0.83 | SMN1; SMN2 (1.00) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL8925013 | 0.83 | CYP1A2 (0.67) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| Moxisylyte SCHEMBL1649830 | 0.82 | ADRA1D (0.95) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL8921921 | 0.82 | CYP1A2 (0.66) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL8927873 | 0.81 | CYP1A2 (0.65) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL8925250 | 0.81 | CYP1A2 (0.65) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| SCHEMBL10544312 | 0.80 | DRD3 (0.63) | CYP1A2ADRA2ACYP2D6PKMADRA2B | |
| Hydrochloric Acid SCHEMBL10546521 | 0.79 | SMN1; SMN2 (0.64) | CYP1A2ADRA2ACYP2D6PKMADRA2B |
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-5624961-A | Benzylaminoethoxybenzene derivatives, production thereof and use thereof | JAPAN TOBACCO INC. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0693474-A1 | NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Toyo Boseki Kabushiki Kaisha (JP) | 1996-01-24 | — | — | EP | disclosed |