Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 17/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 17/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 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 | |
|---|---|---|---|---|
| SCHEMBL6169990 | 0.90 | ESR1 (0.48) | ESR1ESR2F2ENPP1 | |
| SCHEMBL6172747 | 0.83 | ESR1 (0.56) | ESR1ESR2 | |
| SCHEMBL6176533 | 0.82 | S1PR1 (0.49) | ESR1ESR2S1PR1S1PR5ENPP1 | |
| SCHEMBL6596947 | 0.79 | ESR1 (0.56) | ESR1ESR2 | |
| SCHEMBL6170231 | 0.78 | ESR1 (0.56) | ESR1ESR2ENPP1 | |
| SCHEMBL6597734 | 0.78 | F2 (0.59) | ESR1ESR2F2 | |
| SCHEMBL6593700 | 0.78 | ESR1 (0.55) | ESR1ESR2ENPP1 | |
| SCHEMBL7411704 | 0.76 | ESR1 (0.60) | ESR1ESR2 | |
| SCHEMBL6171170 | 0.76 | ESR1 (0.59) | ESR1ESR2F2 | |
| SCHEMBL6169981 | 0.76 | ESR1 (0.66) | ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1027051-B1 | ANTITHROMBOTIC AGENTS | LILLY CO ELI (US) | 2005-01-05 | — | — | EP | disclosed |
| US-6391901-B1 | Thrombin inhibitors | ELI LILLY AND COMPANY | 2002-05-21 | — | — | US | disclosed |
| US-6288105-B1 | COMPOUNDS SUCH AS (S)-2-(4-((2-AMINO-3-HYDROXY-1-OXOPROPYL)AMINO)PHENYL)-6-HYDRO XY-3-(3-METHOXY-4-(1-PYRROLIDINYLMETHYL)BENZYL)BENZO(B)THIOPHE NE | ELI LILLY AND COMPANY | 2001-09-11 | — | — | US | disclosed |