Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
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 SCHEMBL28473884 | 0.84 | MAPT (0.63) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL7367812 | 0.81 | ADRB2 (1.00) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL8266174 | 0.81 | ADRB2 (1.00) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL6672267 | 0.81 | ADRB2 (0.67) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| Hydrochloric Acid SCHEMBL10872169 | 0.80 | ADRB2 (0.97) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| Acetamide SCHEMBL5800005 | 0.79 | ADRB2 (0.83) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL11232155 | 0.79 | ADRB2 (0.88) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL11667770 | 0.79 | ADRB2 (0.88) | ADRB2ADRB1CYP2D6ADRB3PTGS1 | |
| SCHEMBL4455319 | 0.79 | ADRB2 (0.63) | ADRB2ADRB1CYP2D6ADRB3KMT2A | |
| SCHEMBL11594087 | 0.79 | ADRB2 (0.72) | ADRB2ADRB1CYP2D6ADRB3KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0256586-B1 | 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) | 1992-05-13 | — | — | EP | disclosed |
| 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 | disclosed |