Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.38 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 6/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965259 | 0.89 | S1PR5 (0.42) | ITGB3ITGA2BCYSLTR2CYSLTR1S1PR5 | |
| SCHEMBL30965262 | 0.89 | MEN1 (0.46) | CYSLTR2CYSLTR1S1PR5HPGDPPARG | |
| SCHEMBL30965265 | 0.83 | HPGD (0.47) | ITGB3ITGA2BTDP1CYSLTR2CYSLTR1 | |
| SCHEMBL30965143 | 0.83 | NAAA (0.38) | ITGB3ITGA2BHPGDNAAAACHE | |
| SCHEMBL30965210 | 0.81 | CYP19A1 (0.41) | ITGB3ITGA2BNAAAASAH1 | |
| SCHEMBL30965219 | 0.79 | TDP1 (0.43) | TDP1HPGDCA12CA9LPAR1 | |
| SCHEMBL30965231 | 0.76 | CA12 (0.47) | TDP1CYSLTR2CYSLTR1HPGDCA12 | |
| SCHEMBL30965266 | 0.74 | HPGD (0.46) | CYSLTR2CYSLTR1S1PR5HPGDNAAA | |
| SCHEMBL30965171 | 0.73 | HPGD (0.45) | CYSLTR2CYSLTR1S1PR5HPGDPPARG | |
| SCHEMBL30965251 | 0.71 | ALDH1A1 (0.45) | TDP1CA12CA9LPAR1LPAR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |