Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 16/20 | 0.83 |
| ▸ | ESR2 | Q92731 | 16/20 | 0.83 |
| ▸ | UBE2N | P61088 | 1/20 | 0.73 |
| ▸ | CNR1 | P21554 | 1/20 | 0.66 |
| ▸ | CNR2 | P34972 | 1/20 | 0.66 |
| ▸ | F2 | P00734 | 1/20 | 0.64 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.61 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547737 | 1.00 | ESR1 (0.83) | ESR1ESR2UBE2NCNR1CNR2 | |
| SCHEMBL6592800 | 0.93 | ESR1 (0.82) | ESR1ESR2UBE2NCNR1F2 | |
| SCHEMBL11547914 | 0.93 | ESR1 (0.75) | ESR1ESR2UBE2NCNR1F2 | |
| SCHEMBL6595228 | 0.92 | ESR1 (0.83) | ESR1ESR2UBE2NCNR1F2 | |
| SCHEMBL7409821 | 0.92 | ESR1 (0.98) | ESR1ESR2CNR1CNR2F2 | |
| SCHEMBL4651940 | 0.92 | ESR1 (0.98) | ESR1ESR2CNR1CNR2F2 | |
| SCHEMBL6595006 | 0.91 | ESR1 (1.00) | ESR1ESR2CNR1F2ENPP3 | |
| SCHEMBL4650742 | 0.91 | ESR1 (1.00) | ESR1ESR2CNR1F2ENPP3 | |
| SCHEMBL8597259 | 0.90 | ESR1 (0.74) | ESR1ESR2CNR1ENPP3ENPP1 | |
| SCHEMBL7768296 | 0.87 | ESR1 (0.71) | ESR1ESR2UBE2NF2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863755-B1 | ANTITHROMBOTIC DIAMINES | LILLY CO ELI (US) | 2004-12-15 | — | — | EP | disclosed |
| 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 |