Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.46 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 7/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4705917 | 0.94 | IDH1 (0.50) | IDH1CACNA1GCACNA1HTP53TACR1 | |
| SCHEMBL4706587 | 0.88 | IDH1 (0.52) | IDH1CACNA1GCACNA1HTP53ALDH1A1 | |
| SCHEMBL4707843 | 0.87 | EPHX2 (0.48) | IDH1CACNA1GCACNA1HTACR1ALDH1A1 | |
| SCHEMBL4708123 | 0.87 | TP53 (0.49) | IDH1CACNA1GCACNA1HTP53TACR1 | |
| SCHEMBL4706714 | 0.86 | TACR1 (0.48) | IDH1CACNA1GCACNA1HTACR1ALDH1A1 | |
| SCHEMBL4706969 | 0.86 | CACNA1G (0.49) | IDH1CACNA1GCACNA1HTP53TACR1 | |
| SCHEMBL4707735 | 0.86 | TACR1 (0.52) | IDH1TP53TACR1ALDH1A1GAA | |
| SCHEMBL4706658 | 0.85 | IDH1 (0.62) | IDH1CACNA1GCACNA1HTP53TACR1 | |
| SCHEMBL4707851 | 0.83 | GRM2 (0.40) | IDH1CACNA1GCACNA1HTP53TACR1 | |
| SCHEMBL4706967 | 0.83 | POLB (0.50) | IDH1TACR1ALDH1A1GAAPTGER4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |