Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1287474 | 0.82 | CALM1 (0.52) | KEAP1SMN1; SMN2HTR2A | |
| SCHEMBL7943257 | 0.80 | NQO1 (0.48) | SLC5A2SLC5A1CYP1A2SLC6A4SLC6A2 | |
| SCHEMBL5852567 | 0.79 | CYP3A4 (0.52) | KEAP1HTR2ATSHR | |
| SCHEMBL7789727 | 0.78 | TP53 (0.44) | TP53SLC5A2SLC5A1KEAP1CYP2A6 | |
| SCHEMBL179864 | 0.77 | — | — | |
| SCHEMBL2223002 | 0.77 | HSPA5 (0.46) | KEAP1TAAR1HTR2A | |
| SCHEMBL3871656 | 0.75 | TP53 (0.46) | TP53SLC5A2SLC5A1KEAP1CYP2A6 | |
| SCHEMBL1539188 | 0.75 | KEAP1 (0.70) | TP53KEAP1TAAR1TSHR | |
| SCHEMBL12869648 | 0.75 | TP53 (0.46) | TP53SLC5A2SLC5A1KEAP1SLC6A4 | |
| SCHEMBL48241 | 0.75 | TAAR1 (0.47) | TP53SLC5A2SLC5A1SLC6A4SLC6A2 |
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-104803957-A | Benzylic glycoside derivatives and methods of use | THERACOS INC | 2015-07-29 | — | — | CN | disclosed |