Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638885 | 0.96 | TRPV1 (0.32) | ALDH1A1TSHRRORCTRPV1GRM2 | |
| SCHEMBL4639054 | 0.94 | ALDH1A1 (0.36) | ALDH1A1TSHRRORCCYP19A1S1PR1 | |
| SCHEMBL4637784 | 0.94 | IDH1 (0.37) | ALDH1A1TSHRRORCKDM4C | |
| SCHEMBL4638821 | 0.90 | TACR1 (0.32) | ALDH1A1TSHRRORCCYP3A4GAA | |
| SCHEMBL4637728 | 0.88 | IDH1 (0.37) | ALDH1A1TSHRRORCTRPV1 | |
| SCHEMBL4706116 | 0.87 | RORC (0.35) | RORCS1PR1S1PR3KCNH2CYP3A4 | |
| SCHEMBL4638616 | 0.86 | CFTR (0.33) | RORCS1PR1S1PR4S1PR5 | |
| SCHEMBL4637902 | 0.86 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP19A1S1PR1S1PR3 | |
| SCHEMBL4709706 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP19A1GAAADORA3 | |
| SCHEMBL4637972 | 0.84 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP19A1GAAADORA3 |
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-1501809-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | claimed |
| WO-2003091226-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | claimed |
| EP-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |