Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.58 |
| ▸ | CNR1 | P21554 | 2/20 | 0.58 |
| ▸ | CNR2 | P34972 | 2/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6592398 | 0.87 | CNR1 (0.70) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL6597362 | 0.85 | CNR2 (0.56) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL6595716 | 0.85 | CNR1 (0.55) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL11732074 | 0.83 | ESR1 (0.62) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL11552702 | 0.83 | CNR1 (0.64) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL11547449 | 0.83 | CNR1 (0.64) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL6596614 | 0.82 | CNR2 (0.53) | ESR1CNR1CNR2ESR2TDP1 | |
| SCHEMBL7446215 | 0.81 | CNR2 (0.51) | ESR1CNR1CNR2ESR2 | |
| SCHEMBL11554603 | 0.81 | ESR1 (0.64) | ESR1CNR1CNR2ESR2 | |
| SCHEMBL11548713 | 0.81 | CNR1 (0.62) | ESR1CNR1CNR2ESR2TDP1 |
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 |