Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2487961 | 0.78 | MMP12 (0.48) | GPR139CASREPHX2ALDH1A1GAA | |
| SCHEMBL13240798 | 0.78 | MMP12 (0.48) | GPR139CASREPHX2ALDH1A1GAA | |
| SCHEMBL13285509 | 0.78 | CYP2C19 (0.50) | ALDH1A1MAPTHTT | |
| SCHEMBL3611216 | 0.77 | ALDH1A1 (0.50) | EPHX2ALDH1A1GAAMAPTHPGD | |
| Hydrochloric Acid SCHEMBL2487924 | 0.77 | MMP12 (0.47) | GPR139CASREPHX2ALDH1A1GAA | |
| SCHEMBL6748392 | 0.76 | CETP (0.54) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL8351967 | 0.76 | ICMT (0.44) | GPR139EPHX2ALDH1A1GAAMAPT | |
| SCHEMBL16028565 | 0.75 | AKR1C3 (0.51) | GPR139TRPM8 | |
| SCHEMBL16664416 | 0.75 | MEN1 (0.46) | ALDH1A1MAPTHPGDTSHRHTT | |
| SCHEMBL13282525 | 0.73 | CNR2 (0.48) | MAPTHPGDHDAC4HDAC7HDAC5 |
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-2376489-B1 | ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | CHIESI FARMA SPA (IT) | 2015-04-22 | — | — | EP | disclosed |