Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.49 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2833452 | 0.86 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL1373696 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL8428483 | 0.83 | CA1 (0.58) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL658651 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL5964731 | 0.81 | KDM4E (0.54) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL8424356 | 0.81 | CSNK2A1 (0.62) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL8423890 | 0.80 | HPGD (0.53) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL3417243 | 0.80 | PTPN5 (0.45) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL130628 | 0.79 | ALDH1A1 (0.59) | KDM4EALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL27396609 | 0.79 | ACMSD (0.65) | KDM4EALDH1A1HPGDHSD17B10TDP1 |
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-113735726-A | 2-hydroxy-5- [2- (4- (trifluoromethylphenyl) ethylamino) ] sodium benzoate and preparation method thereof | 浙江理工大学 | 2021-12-03 | — | — | CN | disclosed |
| CN-112479912-A | 2-hydroxy-5- [2- (4- (trifluoromethylphenyl) ethylamino) ] benzoic acid crystal form and preparation method thereof | 浙江普洛家园药业有限公司 | 2021-03-12 | — | — | CN | disclosed |