Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6176533 | 0.88 | S1PR1 (0.49) | ESR1ESR2HRH3 | |
| SCHEMBL7774131 | 0.88 | HRH3 (0.43) | ESR1ESR2HRH3EGFR | |
| SCHEMBL6598084 | 0.88 | S1PR1 (0.48) | ESR1ESR2HRH3 | |
| SCHEMBL7772387 | 0.88 | ESR1 (0.42) | ESR1ESR2HRH3EGFR | |
| SCHEMBL6171046 | 0.87 | CD274 (0.44) | ESR1ESR2MEN1KMT2A | |
| SCHEMBL6171041 | 0.81 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL7447753 | 0.80 | MEN1 (0.44) | ESR1ESR2HRH3MEN1KMT2A | |
| SCHEMBL6171651 | 0.80 | EGFR (0.42) | CA12CA9ESR1ESR2HRH3 | |
| SCHEMBL6595249 | 0.76 | EGFR (0.43) | KMT2AEGFR | |
| SCHEMBL7419460 | 0.76 | KMT2A (0.48) | MEN1KMT2AEGFR |
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 |