Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | SCD | O00767 | 1/20 | 0.52 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548534 | 0.95 | ESR1 (0.57) | ESR1ESR2CNR1CNR2ENPP3 | |
| SCHEMBL11546507 | 0.93 | ESR1 (0.58) | ESR1ESR2CNR1CNR2 | |
| SCHEMBL11547293 | 0.92 | ESR1 (0.60) | ESR1ESR2CNR1CNR2ENPP3 | |
| SCHEMBL11548876 | 0.90 | ESR1 (0.49) | ESR1ESR2CNR1CNR2SCD | |
| SCHEMBL11546770 | 0.90 | CNR1 (0.55) | ESR1ESR2CNR1CNR2ENPP3 | |
| SCHEMBL11550688 | 0.87 | CNR1 (0.57) | ESR1ESR2CNR1CNR2ENPP3 | |
| SCHEMBL11549535 | 0.86 | ESR1 (0.78) | ESR1ESR2CNR1ENPP3 | |
| SCHEMBL11550376 | 0.85 | ESR1 (0.52) | ESR1ESR2CNR1CNR2 | |
| SCHEMBL11547336 | 0.85 | ESR1 (0.61) | ESR1ESR2CNR1CNR2 | |
| SCHEMBL6980679 | 0.84 | ESR1 (0.71) | ESR1ESR2CNR1CNR2ENPP3 |
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-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |