Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13211893 | 0.81 | CD44 (0.52) | CD44EGFRMAPTHTTALDH1A1 | |
| SCHEMBL1143602 | 0.78 | KEAP1 (0.52) | MAPTHTTALDH1A1CYP3A4TDP1 | |
| SCHEMBL30951592 | 0.78 | KEAP1 (0.52) | MAPTHTTALDH1A1CYP3A4TDP1 | |
| SCHEMBL787 | 0.77 | — | — | |
| SCHEMBL29518635 | 0.77 | — | — | |
| SCHEMBL26016639 | 0.77 | ALDH1A1 (0.44) | CD44MAPTHTTALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL30951582 | 0.76 | MAPT (0.50) | MAPTHTTALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL617966 | 0.76 | MAPT (0.50) | MAPTHTTALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL28769409 | 0.76 | MAPT (0.50) | MAPTHTTALDH1A1CYP3A4TDP1 | |
| SCHEMBL16776729 | 0.76 | CD44 (0.72) | CD44ALDH1A1CYP3A4TDP1CYP1A2 |
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-2020011246-A1 | BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 广州丹康医药生物有限公司 | 2020-01-16 | — | — | WO | disclosed |