Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 5/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16136391 | 0.91 | TRPA1 (0.38) | TRPA1ALDH1A1TSHRPPARGPPARA | |
| SCHEMBL707593 | 0.77 | LTA4H (0.42) | ALDH1A1TSHRLMNATDP1L3MBTL1 | |
| SCHEMBL705121 | 0.73 | MEN1 (0.35) | ALDH1A1TSHRLMNA | |
| SCHEMBL707650 | 0.72 | IDO1 (0.50) | IDO1FFAR1LMNAL3MBTL1 | |
| SCHEMBL713132 | 0.69 | RELA (0.33) | ALDH1A1TSHRSLC6A2 | |
| SCHEMBL3684392 | 0.69 | PPARG (0.38) | IDO1TRPA1ALDH1A1TSHRPPARG | |
| SCHEMBL27691711 | 0.68 | TRPA1 (0.70) | TRPA1ALDH1A1TSHRDRD3KCNH2 | |
| SCHEMBL13570654 | 0.67 | L3MBTL1 (0.58) | IDO1TRPA1ALDH1A1TSHRFFAR1 | |
| SCHEMBL703823 | 0.67 | IDO1 (0.44) | IDO1FFAR1TDP1L3MBTL1 | |
| SCHEMBL104984 | 0.66 | IDO1 (0.55) | IDO1LMNADRD3KCNH2CHRM2 |
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-1813611-B1 | 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME | KISSEI PHARMACEUTICAL (JP) | 2014-10-01 | — | — | EP | disclosed |