Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | CASP2 | P42575 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4014677 | 0.89 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| SCHEMBL8357951 | 0.88 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19PDK1ATAD2 | |
| SCHEMBL16150961 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C19PDK1ATAD2 | |
| SCHEMBL11338493 | 0.82 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C19PDK1NPC1 | |
| SCHEMBL29690526 | 0.81 | RAB9A (0.50) | NPC1RAB9ASMN1; SMN2DYRK1AMAPT | |
| SCHEMBL5351987 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19PDK1NPC1 | |
| SCHEMBL29690516 | 0.79 | DYRK1A (0.47) | NPC1RAB9ASMN1; SMN2HTTDYRK1A | |
| SCHEMBL202215 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1NPC1 | |
| SCHEMBL7542512 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1NPC1 | |
| SCHEMBL3242801 | 0.79 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19PDK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114605349-A | Method for synthesizing photocatalytic alkyl-substituted benzothiazole derivative | 浙江工业大学 | 2022-06-10 | — | — | CN | disclosed |