Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 6/20 | 0.36 |
| ▸ | DRD3 | P35462 | 6/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12204179 | 0.93 | ALDH1A1 (0.42) | ALDH1A1GNAI3GNAO1GNAI1DRD2 | |
| SCHEMBL18269769 | 0.93 | ALDH1A1 (0.42) | ALDH1A1GNAI3GNAO1GNAI1DRD2 | |
| SCHEMBL19993065 | 0.91 | GNAI3 (0.41) | GNAI3GNAO1GNAI1DRD2DRD3 | |
| SCHEMBL26718738 | 0.84 | GNAI3 (0.37) | ALDH1A1GNAI3GNAO1GNAI1DRD2 | |
| SCHEMBL1678882 | 0.83 | — | — | |
| SCHEMBL5909386 | 0.83 | GNAI3 (0.45) | GNAI3GNAO1GNAI1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL6818147 | 0.81 | — | — | |
| SCHEMBL21844539 | 0.81 | EPHX1 (0.43) | ALDH1A1GNAI3GNAO1GNAI1KDM4E | |
| SCHEMBL24224645 | 0.80 | DRD3 (0.44) | ALDH1A1GNAI3GNAO1GNAI1DRD2 | |
| SCHEMBL22747190 | 0.80 | DRD3 (0.44) | ALDH1A1GNAI3GNAO1GNAI1DRD2 |
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-3173457-A1 | LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME | DIC Corporation (JP) | 2017-05-31 | — | — | EP | disclosed |