Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969434 | 0.81 | HTR1D (0.43) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| Methylamine SCHEMBL28262977 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2D6ALDH1A1ESR1 | |
| SCHEMBL29284733 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| SCHEMBL10835974 | 0.78 | MAPT (0.37) | CYP1A2CYP2C19CYP2D6ALDH1A1NPC1 | |
| SCHEMBL24813382 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP2D6ALDH1A1ESR1 | |
| SCHEMBL18176651 | 0.76 | KIF11 (0.40) | CYP1A2CYP2C19CYP2D6ALDH1A1ESR1 | |
| SCHEMBL195863 | 0.76 | CASP1 (0.44) | CYP2D6ALDH1A1L3MBTL1HSD17B10ATM | |
| SCHEMBL13548300 | 0.74 | SLC6A4 (0.35) | ALDH1A1L3MBTL1HPGDTDP1MAPT | |
| SCHEMBL28539089 | 0.74 | CYP1A2 (0.42) | CYP1A2CYP2C19CYP2D6ALDH1A1ESR1 | |
| SCHEMBL799826 | 0.73 | MAPT (0.43) | ALDH1A1ESR1HPGDMAPTMAPK1 |
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-2010098488-A1 | ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |