Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SAT1 | P21673 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7524665 | 0.77 | HTT (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL21321660 | 0.75 | HTT (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL17253123 | 0.74 | MEN1 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL8221950 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL19594869 | 0.73 | ALDH1A1 (0.56) | CYP1A2TP53HTTMEN1KMT2A | |
| SCHEMBL22857722 | 0.73 | ALDH1A1 (0.56) | CYP1A2TP53HTTMEN1KMT2A | |
| SCHEMBL9639980 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL9639972 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| SCHEMBL7521289 | 0.71 | PKM (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 | |
| Methyl Alcohol SCHEMBL10916312 | 0.70 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19TP53 |
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-3257839-B1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2019-09-04 | — | — | EP | disclosed |