Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 11/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 9/20 | 0.34 |
| ▸ | RARA | P10276 | 9/20 | 0.34 |
| ▸ | RXRA | P19793 | 7/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 3/20 | 0.32 |
| ▸ | RXRG | P48443 | 3/20 | 0.32 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | RORC | P51449 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL12813361 | 0.83 | ALDH1A1 (0.41) | ALDH1A1HCAR2MAPTMAPK1KDM4E | |
| SCHEMBL8034537 | 0.80 | CYP1A2 (0.49) | CYP1A2RARBALDH1A1RARGRARA | |
| SCHEMBL12813347 | 0.78 | ALDH1A1 (0.47) | CYP1A2RARBALDH1A1RARGRARA | |
| SCHEMBL12813465 | 0.78 | RARB (0.43) | CYP1A2RARBALDH1A1RARGRARA | |
| SCHEMBL12813449 | 0.76 | RARB (0.41) | CYP1A2RARBALDH1A1RARGRARA | |
| SCHEMBL12813381 | 0.76 | RARB (0.41) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL14995803 | 0.75 | RARB (0.45) | RARBALDH1A1RARGRARARXRA | |
| SCHEMBL14992549 | 0.75 | RARB (0.47) | RARBALDH1A1RARGRARACYP3A4 | |
| SCHEMBL12813501 | 0.75 | HTT (0.45) | CYP1A2RARBALDH1A1RARGRARA | |
| SCHEMBL12813470 | 0.75 | RARB (0.38) | CYP1A2RARBALDH1A1RARGRARA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |