Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FTO | Q9C0B1 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | STAT6 | P42226 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11447427 | 0.85 | FTO (0.66) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL11447384 | 0.80 | RAD52 (0.60) | FTOCYP1A2CYP3A4CYP2C19RXFP1 | |
| SCHEMBL13707320 | 0.79 | FTO (0.61) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL10719190 | 0.78 | HEXA (0.68) | CYP3A4POLBNR1I2AHRRAD52 | |
| SCHEMBL5446452 | 0.76 | FTO (0.62) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14557208 | 0.75 | KLK7 (0.57) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14507167 | 0.74 | FTO (0.61) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL11447373 | 0.73 | TYMS (0.64) | MAPTMAPK1LMNA | |
| SCHEMBL14507164 | 0.73 | FTO (0.59) | FTOCYP1A2CYP2C19CYP2D6POLB | |
| SCHEMBL29405137 | 0.72 | FTO (0.47) | FTOCYP1A2CYP3A4CYP2C19CYP2D6 |
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-0243841-A1 | Benzo[d,e]isoquinoline-1,3 diones, their preparation and use | KNOLL AG (DE) | 1987-11-04 | — | — | EP | disclosed |