Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.68 |
| ▸ | F2 | P00734 | 8/20 | 0.68 |
| ▸ | ESR1 | P03372 | 6/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.61 |
| ▸ | LTA4H | P09960 | 3/20 | 0.59 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.57 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6596926 | 0.99 | ITGA4 (0.69) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL8012539 | 0.95 | F2 (0.73) | ITGA4F2ESR1ESR2 | |
| SCHEMBL7982501 | 0.95 | F2 (0.67) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL6597629 | 0.95 | F2 (0.67) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL7774025 | 0.95 | F2 (0.65) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL6595837 | 0.95 | F2 (0.76) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL7414082 | 0.94 | F2 (0.64) | ITGA4F2ESR1ESR2LTA4H | |
| SCHEMBL6171204 | 0.94 | F2 (0.75) | ITGA4F2ESR1ESR2 | |
| SCHEMBL7411720 | 0.94 | F2 (0.75) | ITGA4F2ESR1ESR2 | |
| SCHEMBL6172878 | 0.94 | ESR1 (0.66) | ITGA4F2ESR1ESR2LTA4H |
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 |