Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CIT | O14578 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TPH1 | P17752 | 5/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3629762 | 1.00 | CIT (0.45) | CITALDH1A1TPH1ITGA4ITGB7 | |
| SCHEMBL539489 | 1.00 | CIT (0.45) | CITALDH1A1TPH1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL539490 | 0.99 | CIT (0.45) | CITALDH1A1TPH1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL539367 | 0.99 | CIT (0.45) | CITALDH1A1TPH1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL31206084 | 0.99 | CIT (0.45) | CITALDH1A1TPH1ITGA4ITGB7 | |
| SCHEMBL26706405 | 0.87 | CIT (0.42) | CITTPH1PDCD1CD274 | |
| SCHEMBL26706360 | 0.86 | KDM4E (0.40) | CITALDH1A1ITGA4ITGB7KDM4E | |
| SCHEMBL24073155 | 0.86 | SLC7A5 (0.49) | CITTPH1PTGS2KDM4EPDCD1 | |
| SCHEMBL28948045 | 0.86 | SLC7A5 (0.49) | CITTPH1PTGS2KDM4EPDCD1 | |
| Hydrochloric Acid SCHEMBL29106517 | 0.85 | SLC7A5 (0.48) | TPH1PTGS2KDM4EPDCD1CD274 |
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-115667219-B | Preparation method of (S) -2-amino-3- (4- (2, 3-dimethylpyridine-4-yl) phenyl) methyl propionate diacid salt | 杭州中美华东制药有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-115667219-A | Preparation method of (S) -2-amino-3- (4- (2,3-dimethylpyridine-4-yl) phenyl) methyl propionate diacid salt | 杭州中美华东制药有限公司 | 2023-01-31 | — | — | CN | disclosed |