Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18458889 | 0.95 | SLC18A3 (0.34) | SLC18A3SPHK1CYP2C9HTR2AHTR2C | |
| SCHEMBL18458911 | 0.85 | DRD2 (0.49) | CYP2C9LMNAMAPTMEN1KMT2A | |
| SCHEMBL18458822 | 0.82 | SPHK1 (0.47) | SLC18A3SPHK1CYP2C9ESR2ALDH1A1 | |
| SCHEMBL19619424 | 0.82 | SPHK1 (0.47) | SLC18A3SPHK1CYP2C9ESR2ALDH1A1 | |
| SCHEMBL18512739 | 0.82 | DRD2 (0.50) | HTR2CALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18800271 | 0.82 | SLC18A3 (0.34) | SLC18A3SPHK1CYP2C9ESR2ALDH1A1 | |
| SCHEMBL18458501 | 0.81 | SPHK1 (0.39) | SPHK1CYP2C9 | |
| SCHEMBL20160936 | 0.81 | GRIA1 (0.51) | MEN1KMT2AMAPK1DRD2DRD3 | |
| SCHEMBL20929628 | 0.81 | SPHK1 (0.39) | SPHK1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL18458741 | 0.81 | DPP4 (0.40) | SPHK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020116555-A1 | LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | DIC株式会社 | 2020-06-11 | — | — | WO | disclosed |
| WO-2020044833-A1 | LIQUID CRYSTAL COMPOSITION | DIC株式会社 | 2020-03-05 | — | — | WO | disclosed |