Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965246 | 0.89 | AKR1B1 (0.47) | AKR1B1PTPN1PTPN2TDP1KMT2A | |
| SCHEMBL30965193 | 0.88 | MEN1 (0.52) | AKR1B1PTPN1PTPN2TDP1KMT2A | |
| SCHEMBL30965267 | 0.82 | LPAR3 (0.45) | CA12CA9AKR1B1PTPN1PTPN2 | |
| SCHEMBL30965219 | 0.82 | TDP1 (0.43) | CA12CA9PTPN1TDP1KMT2A | |
| SCHEMBL30965174 | 0.81 | AKR1B1 (0.42) | CA12CA9AKR1B1PTPN1PTPN2 | |
| SCHEMBL30965224 | 0.80 | CYP19A1 (0.45) | CA12CA9AKR1B1PTPN1PTPN2 | |
| SCHEMBL30965211 | 0.76 | ITGB3 (0.40) | CA12CA9TDP1CYSLTR2CYSLTR1 | |
| SCHEMBL30965251 | 0.74 | ALDH1A1 (0.45) | CA12CA9TDP1KMT2ASMN1; SMN2 | |
| SCHEMBL25408549 | 0.73 | CA12 (0.60) | CA12CA9AKR1B1TDP1KMT2A | |
| SCHEMBL30965205 | 0.71 | ALDH1A1 (0.45) | KMT2ASMN1; SMN2CYSLTR2CYSLTR1KDM4E |
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 |