Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.36 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.35 |
| ▸ | ADAMTS5 | Q9UNA0 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965266 | 0.90 | HPGD (0.46) | HPGDALDH1A1KDM4ENAAALMNA | |
| SCHEMBL30965171 | 0.89 | HPGD (0.45) | HPGDALDH1A1KDM4ENAAALMNA | |
| SCHEMBL30965211 | 0.83 | ITGB3 (0.40) | HPGDITGB3ITGA2BLPAR3NAAA | |
| SCHEMBL30965261 | 0.81 | THRA (0.46) | LPAR3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL30965143 | 0.79 | NAAA (0.38) | HPGDITGB3ITGA2BALDH1A1KDM4E | |
| SCHEMBL30965267 | 0.78 | LPAR3 (0.45) | LPAR3ALDH1A1LMNAKMT2AAGTR1 | |
| SCHEMBL30965210 | 0.78 | CYP19A1 (0.41) | ITGB3ITGA2BNAAA | |
| SCHEMBL30965259 | 0.73 | S1PR5 (0.42) | HPGDITGB3ITGA2BNAAAMEN1 | |
| SCHEMBL30965262 | 0.73 | MEN1 (0.46) | HPGDALDH1A1NAAAMEN1KMT2A | |
| SCHEMBL30965272 | 0.71 | THRA (0.47) | HPGDALDH1A1KDM4ELMNAMEN1 |
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 |