Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL397816 | 0.84 | ALDH1A1 (0.42) | MAPTSMN1; SMN2GAARAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL15880793 | 0.82 | ALDH1A1 (0.41) | MAPTSMN1; SMN2GAARAB9ANPC1 | |
| Benzothiophene SCHEMBL28919762 | 0.75 | CTNNB1 (0.35) | SMN1; SMN2RAB9ANPC1KDM4ESLC6A2 | |
| SCHEMBL760406 | 0.68 | CYP2A6 (0.55) | MAPTGAARAB9ANPC1KDM4E | |
| SCHEMBL826863 | 0.67 | CYP2A6 (0.42) | MAPTRAB9AKDM4ESLC6A2SLC6A4 | |
| SCHEMBL19756637 | 0.67 | SLC6A4 (0.43) | SLC6A2SLC6A4SLC6A3HTR3EHTR3B | |
| SCHEMBL19756623 | 0.67 | SLC6A2 (0.57) | MAPTSMN1; SMN2RAB9ANPC1KDM4E | |
| Hydrochloric Acid SCHEMBL10370258 | 0.66 | CYP2A6 (0.53) | MAPTGAARAB9ANPC1KDM4E | |
| SCHEMBL17449212 | 0.65 | MAPT (0.44) | MAPTSMN1; SMN2GAARAB9ANPC1 | |
| SCHEMBL17449204 | 0.65 | MAPT (0.44) | MAPTSMN1; SMN2GAARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111658644-B | Small-molecule STAT3 inhibitor WZ-2-033 and application thereof in preparation of medicines for treating breast cancer and gastric cancer | 中山大学 | 2021-05-14 | — | — | CN | disclosed |
| CN-111658644-A | Small-molecule STAT3 inhibitor WZ-2-033 and application thereof in preparation of medicines for treating breast cancer and gastric cancer | 中山大学 | 2020-09-15 | — | — | CN | disclosed |