Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.65 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8926178 | 0.99 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| SCHEMBL8925193 | 0.91 | ADRA1D (0.78) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8923384 | 0.90 | ADRA1D (0.77) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| SCHEMBL8924618 | 0.83 | ADRA1D (0.78) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8927295 | 0.82 | ADRA1D (0.77) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| SCHEMBL8922883 | 0.82 | ADRA1D (0.56) | ADRA1DADRA1AADRA1BSMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL8924233 | 0.81 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BSMN1; SMN2TSHR | |
| SCHEMBL8924105 | 0.80 | ADRA1D (0.46) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| SCHEMBL8924539 | 0.79 | ADRA1D (1.00) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 | |
| SCHEMBL8924695 | 0.79 | ADRA1D (0.81) | ADRA1DADRA1AADRA1BCYP1A2CYP2D6 |
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 |