Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19385993 | 1.00 | CYSLTR1 (0.46) | CYSLTR1CYSLTR2ALOX5CYP1A2GPBAR1 | |
| SCHEMBL28824774 | 0.83 | ALOX5 (0.46) | CYSLTR1CYSLTR2ALOX5CYP1A2GPBAR1 | |
| SCHEMBL28824794 | 0.81 | ALOX5 (0.45) | CYSLTR1CYSLTR2ALOX5CYP1A2GPBAR1 | |
| SCHEMBL28824785 | 0.80 | CYP19A1 (0.51) | CYSLTR1CYSLTR2ALOX5CYP1A2 | |
| SCHEMBL28824791 | 0.79 | CYP1A2 (0.45) | CYSLTR1CYSLTR2ALOX5CYP1A2GPBAR1 | |
| SCHEMBL7655431 | 0.76 | EPHX1 (0.58) | CYP1A2 | |
| SCHEMBL31570746 | 0.74 | CYSLTR2 (0.51) | CYSLTR1CYSLTR2CYP1A2GPBAR1 | |
| SCHEMBL31570744 | 0.74 | CYSLTR2 (0.51) | CYSLTR1CYSLTR2CYP1A2GPBAR1 | |
| SCHEMBL7921077 | 0.74 | GPBAR1 (0.51) | CYSLTR1CYSLTR2ALOX5CYP1A2GPBAR1 | |
| SCHEMBL839033 | 0.74 | CYP1A2 (0.53) | CYSLTR1CYSLTR2CYP1A2GPBAR1 |
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-3440056-A2 | PD(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(SP3)-H BOND ACTIVATION | The Scripps Research Institute (US) | 2019-02-13 | — | — | EP | disclosed |
| WO-2017165304-A2 | Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-09-28 | — | — | WO | disclosed |