Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 18/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 18/20 | 0.61 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.56 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7768236 | 1.00 | ESR1 (0.61) | ESR1ESR2NR5A2ENPP3 | |
| SCHEMBL7768241 | 1.00 | ESR1 (0.61) | ESR1ESR2NR5A2ENPP3 | |
| SCHEMBL7549406 | 0.90 | ESR1 (0.76) | ESR1ESR2NR5A2 | |
| SCHEMBL7542965 | 0.90 | ESR1 (0.76) | ESR1ESR2NR5A2 | |
| SCHEMBL7542961 | 0.90 | ESR1 (0.76) | ESR1ESR2NR5A2 | |
| SCHEMBL7774004 | 0.86 | ESR1 (0.68) | ESR1ESR2NR5A2ENPP3 | |
| SCHEMBL6597305 | 0.85 | ESR1 (0.79) | ESR1ESR2ENPP3 | |
| SCHEMBL6595565 | 0.85 | ESR1 (0.68) | ESR1ESR2ENPP3 | |
| SCHEMBL6591881 | 0.85 | ESR1 (0.79) | ESR1ESR2ENPP3 | |
| SCHEMBL6597301 | 0.85 | ESR1 (0.79) | ESR1ESR2ENPP3 |
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-6265575-B1 | THROMBIN INHIBITORS | ELI LILLY AND COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6251921-B1 | ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| US-6025382-A | Antithrombotic diamines | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |