Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 7/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12802135 | 0.84 | ALDH1A1 (0.46) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL7637395 | 0.81 | CNR1 (0.45) | ALDH1A1MAPTCYP1A2GABRA1GABRB2 | |
| SCHEMBL20059251 | 0.80 | TRPA1 (0.39) | MAPTCYP1A2CNR2CNR1GAA | |
| SCHEMBL30271269 | 0.75 | IDO1 (0.52) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL11043517 | 0.75 | IDO1 (0.52) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL12802029 | 0.75 | CNR2 (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL12802078 | 0.75 | CNR2 (0.40) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL19222108 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPTTP53 | |
| SCHEMBL12802174 | 0.74 | CNR2 (0.46) | ALDH1A1PPARGPPARDPPARAXDH | |
| SCHEMBL10186682 | 0.73 | SIGMAR1 (0.36) | CYP3A4CYP1A2CNR2CNR1MEN1 |
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-3099685-B1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |