Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 9/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 9/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8081122 | 0.78 | ALDH1A1 (0.46) | CYP2D6NPSR1 | |
| SCHEMBL11165569 | 0.75 | ADRB2 (1.00) | ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL10834375 | 0.74 | ADRB2 (0.97) | ADRB2ADRB1ADRB3 | |
| SCHEMBL8266174 | 0.72 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| SCHEMBL7367812 | 0.72 | ADRB2 (1.00) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| SCHEMBL28343494 | 0.72 | SLC1A3 (0.43) | CYP2D6MEN1KMT2ANPSR1 | |
| Drobuline SCHEMBL120552 | 0.72 | ADRB2 (0.56) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| Acetamide SCHEMBL5800005 | 0.71 | ADRB2 (0.83) | ADRB2ADRB1ADRB3CYP2D6KDM4E | |
| SCHEMBL6504745 | 0.71 | PPARA (0.49) | CYP2D6 | |
| SCHEMBL2553482 | 0.71 | PPARA (0.49) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0256586-A1 | Process for the preparation of esters of 4-(2,3-epoxypropoxy)phenylacetic acid and 4-(2-hydroxy-3-isopropylamino-propoxy)phenylacetic acid and/or atenolol in stereospecific form | GIST-BROCADES N.V. (NL) | 1988-02-24 | — | — | EP | claimed |