Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | RARB | P10826 | 4/20 | 0.59 |
| ▸ | LTA4H | P09960 | 3/20 | 0.57 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL18682513 | 0.96 | RARB (0.65) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 | |
| SCHEMBL15162229 | 0.96 | NR1I2 (0.64) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 | |
| SCHEMBL18682511 | 0.94 | RARB (0.68) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 | |
| SCHEMBL18682512 | 0.91 | NR1I2 (0.60) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 | |
| SCHEMBL5583851 | 0.91 | CYP2D6 (0.76) | CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9151170 | 0.91 | CYP2D6 (0.76) | CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL11853268 | 0.89 | NR5A1 (0.71) | CYP3A4NR1I2RARBLTA4HNR5A1 | |
| SCHEMBL15923762 | 0.89 | NR5A1 (0.71) | CYP3A4NR1I2RARBLTA4HNR5A1 | |
| SCHEMBL9119081 | 0.89 | ALDH1A1 (0.68) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 | |
| SCHEMBL2720663 | 0.89 | ALDH1A1 (0.68) | CYP3A4CYP2D6NR1I2CYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170088777-A1 | LIQUID CRYSTAL ALIGNMENT LAYER | DIC CORPORATION (JP) | 2017-03-30 | — | — | US | disclosed |