Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 14/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637976 | 0.94 | IDH1 (0.43) | IDH1GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL4709706 | 0.93 | ALDH1A1 (0.42) | GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL4637810 | 0.87 | IDH1 (0.42) | IDH1GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL4708547 | 0.87 | GRM2 (0.37) | IDH1GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL4637784 | 0.87 | IDH1 (0.37) | IDH1GPBAR1ALDH1A1TSHRCRHR1 | |
| SCHEMBL4637972 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TSHRGRM2 | |
| SCHEMBL4708206 | 0.87 | TACR1 (0.35) | GPBAR1GRM2 | |
| SCHEMBL4638055 | 0.86 | ALDH1A1 (0.38) | IDH1GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL6227519 | 0.85 | ALDH1A1 (0.34) | IDH1GPBAR1ALDH1A1TSHRGRM2 | |
| SCHEMBL4705619 | 0.85 | TACR1 (0.36) | GPBAR1ALDH1A1GRM2 |
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-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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |