Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8039592 | 1.00 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL8695468 | 0.88 | ESR1 (0.33) | ESR1PTGS1PDE4ACACNA1CKEAP1 | |
| SCHEMBL8039549 | 0.88 | ESR1 (0.33) | ESR1PTGS1PDE4ACACNA1CKEAP1 | |
| SCHEMBL8046003 | 0.85 | ESR1 (0.32) | ESR1PTGS1PDE4ACACNA1CKEAP1 | |
| SCHEMBL8040733 | 0.81 | ELANE (0.40) | ELANEFAP | |
| SCHEMBL9220172 | 0.79 | PTGS1 (0.50) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL8530735 | 0.79 | PTGS1 (0.50) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9836121 | 0.79 | PTGS1 (0.50) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9220178 | 0.79 | PTGS1 (0.50) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL10614146 | 0.79 | PTGS1 (0.50) | ESR1PTGS1PDE4ACACNA1CABCC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5719275-A | REACTING SILYL ENOL ETHER WITH AZETIDINONE DERIVATIVE TO FORM INTERMEDIATE FOR PENICILLIN-TYPE ANTIBIOTIC | SANKYO COMPANY, LIMITED (JP) | 1998-02-17 | — | — | US | disclosed |