Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 4/20 | 0.41 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965215 | 0.90 | HPGD (0.48) | AKR1B1PTPN1PTPN2RAB9ATDP1 | |
| SCHEMBL30965180 | 0.89 | RAB9A (0.44) | KMT2ARAB9ATDP1FFAR1 | |
| SCHEMBL30965224 | 0.86 | CYP19A1 (0.45) | AKR1B1PTPN1PTPN2CA12CA9 | |
| SCHEMBL30965202 | 0.85 | TDP1 (0.40) | PTPN1CA12CA9KMT2ATDP1 | |
| SCHEMBL30965231 | 0.81 | CA12 (0.47) | AKR1B1PTPN1PTPN2CA12CA9 | |
| SCHEMBL30965143 | 0.79 | NAAA (0.38) | KMT2ARAB9A | |
| SCHEMBL30965267 | 0.78 | LPAR3 (0.45) | AKR1B1PTPN1PTPN2CA12CA9 | |
| SCHEMBL30965172 | 0.77 | ALDH1A1 (0.42) | CA12CA9KMT2ATDP1 | |
| SCHEMBL30965151 | 0.76 | CYP19A1 (0.44) | AKR1B1PTPN1PTPN2RAB9ATDP1 | |
| SCHEMBL30965204 | 0.74 | HPGD (0.47) | KMT2A |
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 |