Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | JUN | P05412 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP5 | P51878 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | PDE8B | O95263 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4638624 | 0.83 | HSP90AA1 (0.38) | HTTL3MBTL1ENPP2AKR1C3GRM2 | |
| SCHEMBL4705254 | 0.80 | ALDH1A1 (0.41) | HTTL3MBTL1AKR1C3GRM2HSP90AA1 | |
| SCHEMBL4708361 | 0.79 | USP2 (0.37) | HTTL3MBTL1AKR1C3GRM2HSP90AA1 | |
| SCHEMBL4708366 | 0.77 | CASP1 (0.35) | CASP1CASP5MAPTLMNANPSR1 | |
| SCHEMBL4707339 | 0.76 | POLB (0.39) | HTTL3MBTL1POLB | |
| SCHEMBL4637929 | 0.74 | HPGD (0.45) | HTTL3MBTL1ENPP2AKR1C3JUN | |
| SCHEMBL4759169 | 0.72 | HTT (0.38) | HTTL3MBTL1ENPP2AKR1C3GRM2 | |
| SCHEMBL4638906 | 0.68 | CYP19A1 (0.49) | AKR1C3MAPTTP53LMNANPSR1 | |
| SCHEMBL27603337 | 0.68 | GRM2 (0.36) | HTTL3MBTL1GRM2JUNNFKB1 | |
| SCHEMBL27603235 | 0.68 | GRM2 (0.36) | HTTL3MBTL1AKR1C3GRM2AKR1C2 |
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 |