Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 9/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
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 | 0.92 | S1PR1 (0.49) | HRH3ESR1ESR2S1PR1S1PR5 | |
| SCHEMBL7772387 | 0.91 | ESR1 (0.42) | HRH3ESR1ESR2EGFRS1PR1 | |
| SCHEMBL6598084 | 0.91 | S1PR1 (0.48) | HRH3ESR1ESR2S1PR1S1PR5 | |
| SCHEMBL6171046 | 0.90 | CD274 (0.44) | ESR1ESR2 | |
| SCHEMBL7772159 | 0.88 | CA12 (0.42) | HRH3ESR1ESR2EGFR | |
| SCHEMBL7768108 | 0.86 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL6171041 | 0.84 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL7447753 | 0.84 | MEN1 (0.44) | HRH3ESR1ESR2 | |
| SCHEMBL6171651 | 0.83 | EGFR (0.42) | HRH3ESR1ESR2EGFR | |
| SCHEMBL6595249 | 0.79 | EGFR (0.43) | EGFR |
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 2 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 |