Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965165 | 0.95 | ALDH1A1 (0.47) | ALDH1A1LMNAAGTR1RAB9ATDP1 | |
| SCHEMBL30965267 | 0.89 | LPAR3 (0.45) | ALDH1A1LMNAAGTR1RAB9ATDP1 | |
| SCHEMBL30965271 | 0.85 | THRA (0.46) | ALDH1A1LMNAAGTR1RAB9AS1PR5 | |
| SCHEMBL30965193 | 0.83 | MEN1 (0.52) | RAB9ATDP1L3MBTL1S1PR5MEN1 | |
| SCHEMBL30965171 | 0.80 | HPGD (0.45) | ALDH1A1LMNAAGTR1RAB9AS1PR5 | |
| SCHEMBL30965272 | 0.79 | THRA (0.47) | ALDH1A1LMNAAGTR1RAB9AMEN1 | |
| SCHEMBL30965180 | 0.79 | RAB9A (0.44) | ALDH1A1RAB9ATDP1L3MBTL1S1PR5 | |
| SCHEMBL30965243 | 0.78 | KDM4E (0.44) | ALDH1A1LMNAAGTR1RAB9AMEN1 | |
| SCHEMBL30965246 | 0.78 | AKR1B1 (0.47) | ALDH1A1RAB9ATDP1L3MBTL1S1PR5 | |
| SCHEMBL30965250 | 0.78 | RAB9A (0.45) | ALDH1A1RAB9ATDP1L3MBTL1S1PR5 |
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 |