Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.53 |
| ▸ | F2 | P00734 | 8/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6172964 | 0.91 | ESR1 (0.57) | ESR1ESR2F2ITGA4 | |
| Hydrochloric Acid SCHEMBL6174126 | 0.89 | ESR1 (0.56) | ESR1ESR2F2ITGA4 | |
| Oxalic Acid SCHEMBL6173208 | 0.88 | ESR1 (0.54) | ESR1ESR2F2ITGA4 | |
| Hydrochloric Acid SCHEMBL6169199 | 0.82 | F2 (0.56) | ESR1ESR2F2ITGA4 | |
| SCHEMBL6606711 | 0.81 | ESR1 (0.60) | ESR1ESR2F2ITGA4 | |
| SCHEMBL6172621 | 0.81 | F2 (0.58) | ESR1ESR2F2ITGA4 | |
| SCHEMBL7972400 | 0.80 | ESR1 (0.59) | ESR1ESR2F2ITGA4 | |
| SCHEMBL6596926 | 0.80 | ITGA4 (0.69) | ESR1ESR2F2ITGA4 | |
| Oxalic Acid SCHEMBL6174231 | 0.80 | ESR1 (0.55) | ESR1ESR2F2ITGA4 | |
| SCHEMBL6172878 | 0.80 | ESR1 (0.66) | ESR1ESR2F2ITGA4 |
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-1027051-B1 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2005-01-05 | — | — | EP | disclosed |
| US-6391901-B1 | Thrombin inhibitors | ELI LILLY AND COMPANY | 2002-05-21 | — | — | US | disclosed |