Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL24416516 | 0.87 | KDM4E (0.32) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL25846848 | 0.85 | ENPP1 (0.31) | GRM5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24416517 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL21563497 | 0.79 | KDM4E (0.38) | KDM4EL3MBTL1 | |
| SCHEMBL28437290 | 0.76 | KDM4E (0.33) | KDM4EMAPTMAPK1TDP1L3MBTL1 | |
| SCHEMBL15987215 | 0.75 | ALDH1A1 (0.40) | GRM5DHFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25846506 | 0.72 | HTT (0.34) | DHFRDHODHKDM4EMAPT | |
| SCHEMBL20080392 | 0.71 | KDM4E (0.41) | KDM4EMAPTMAPK1TDP1L3MBTL1 | |
| SCHEMBL23629577 | 0.71 | ALDH1A1 (0.37) | GRM5DHFRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28437243 | 0.71 | ACLY (0.39) | DHFRCYP2C9CYP2C19KDM4EMAPT |
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-111116513-B | Fixed-point bromination method of 2,1, 3-benzothiadiazole derivative | 浙江工业大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-111116513-A | Fixed-point bromination method of 2,1, 3-benzothiadiazole derivative | 浙江工业大学 | 2020-05-08 | — | — | CN | disclosed |