Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7502240 | 0.79 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C19CYP2D6SMN1; SMN2 | |
| SCHEMBL7439701 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL12326165 | 0.74 | MAPT (0.56) | ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL29697785 | 0.74 | MAPT (0.56) | ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL31119870 | 0.72 | HDAC3 (0.61) | ALDH1A1MAPTRAB9ALMNAMAPK1 | |
| SCHEMBL6641490 | 0.72 | ESR2 (0.50) | ALDH1A1CYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL20897645 | 0.72 | SLC22A6 (0.62) | ALDH1A1CYP1A2CYP3A4KDM4EMEN1 | |
| SCHEMBL3412166 | 0.71 | GSK3B (0.57) | CYP2C19SMN1; SMN2HPGDKMT2ARAB9A | |
| SCHEMBL16959861 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL3972458 | 0.71 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HPGDL3MBTL1CTSL |
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 |
|---|---|---|---|---|---|---|---|
| JP-57116039-A | — | — | None | — | — | JP | disclosed |
| JP-S57116039-A | LIQUID CRYSTAL COMPOUND | SEIKO EPSON CORP | 1982-07-19 | — | — | JP | disclosed |