Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22299852 | 0.80 | MEN1 (0.50) | ALDH1A1CYP3A4MAPTNPC1RAB9A | |
| SCHEMBL22299933 | 0.76 | NPC1 (0.51) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16274602 | 0.74 | CYP1A2 (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12416591 | 0.74 | CYP1A2 (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12416772 | 0.73 | NPC1 (0.57) | ALDH1A1CYP3A4CYP2D6CYP2C19MAPT | |
| SCHEMBL22299938 | 0.73 | CA12 (0.48) | ALDH1A1CYP3A4CYP1A2CYP2C9MAPT | |
| SCHEMBL22299865 | 0.71 | L3MBTL1 (0.45) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL16476575 | 0.70 | GRIN2D (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6842209 | 0.70 | GRIN2D (0.61) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21356653 | 0.70 | PTPRC (0.51) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19 |
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-2020156832-A1 | DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS | BASF SE (DE) | 2020-08-06 | — | — | WO | disclosed |