Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175566 | 0.92 | ESR1 (0.66) | ESR1ESR2SIGMAR1HTR6HTR2A | |
| SCHEMBL5712647 | 0.86 | ESR1 (0.66) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL28048794 | 0.81 | ESR1 (0.59) | ESR1ESR2SIGMAR1NQO2MTNR1A | |
| SCHEMBL10706910 | 0.80 | ESR1 (0.68) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL6839634 | 0.80 | ESR1 (0.57) | ESR1ESR2SIGMAR1HTR6NQO2 | |
| SCHEMBL13958835 | 0.79 | ESR1 (0.66) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL13079117 | 0.79 | ESR1 (0.66) | ESR1ESR2NQO2MTNR1AMTNR1B | |
| SCHEMBL15659806 | 0.79 | ESR1 (0.53) | ESR1ESR2SIGMAR1HTR6NQO2 | |
| Bromide SCHEMBL9688022 | 0.79 | ESR1 (0.66) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL15661220 | 0.78 | ESR1 (0.51) | ESR1ESR2SIGMAR1HTR6NQO2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4503067-A | HYPOTENSIVE, ANGINA PECTORIS | BOEHRINGER MANNHEIM GMBH (DE) | 1985-03-05 | — | — | US | disclosed |
| EP-0004920-B1 | DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1981-08-05 | — | — | EP | disclosed |
| EP-0004920-A1 | Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them | Roche Diagnostics GmbH (DE) | 1979-10-31 | — | — | EP | disclosed |