Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 13/20 | 0.74 |
| ▸ | ESR1 | P03372 | 12/20 | 0.74 |
| ▸ | APP | P05067 | 3/20 | 0.62 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.47 |
| ▸ | SULT1A1 | P50225 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19171602 | 0.90 | ESR1 (0.80) | ESR2ESR1APPHSD17B1HSD17B2 | |
| Raloxifene Core SCHEMBL29941293 | 0.85 | ESR1 (1.00) | ESR2ESR1APPHSD17B1HSD17B2 | |
| Raloxifene Core SCHEMBL2567321 | 0.85 | ESR1 (1.00) | ESR2ESR1APPHSD17B1HSD17B2 | |
| SCHEMBL28073076 | 0.82 | ESR1 (0.64) | ESR2ESR1APPHSD17B1HSD17B2 | |
| SCHEMBL10300223 | 0.77 | ESR1 (0.50) | ESR2ESR1APPHSD17B1HSD17B2 | |
| SCHEMBL6172601 | 0.77 | APP (1.00) | ESR2ESR1APPHSD17B1HSD17B2 | |
| SCHEMBL23766586 | 0.76 | ESR1 (0.44) | ESR2ESR1APP | |
| SCHEMBL5682858 | 0.76 | ESR1 (0.61) | ESR2ESR1APP | |
| SCHEMBL3139631 | 0.76 | ESR1 (1.00) | ESR2ESR1APPHSD17B1HSD17B2 | |
| SCHEMBL13071222 | 0.76 | ESR1 (0.80) | ESR2ESR1APPHSD17B1HSD17B2 |
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 |