Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965272 | 0.89 | THRA (0.47) | THRATHRBPLA2G4BESR1LMNA | |
| SCHEMBL30965271 | 0.88 | THRA (0.46) | THRATHRBPLA2G4BESR1LMNA | |
| SCHEMBL30965267 | 0.84 | LPAR3 (0.45) | LPAR3LMNAALDH1A1AGTR1MAPT | |
| SCHEMBL30965219 | 0.81 | TDP1 (0.43) | THRATHRBLPAR3LMNAALDH1A1 | |
| SCHEMBL30965265 | 0.81 | HPGD (0.47) | LPAR3LMNAALDH1A1AGTR1CYSLTR2 | |
| SCHEMBL30965202 | 0.77 | TDP1 (0.40) | THRATHRBLPAR3ALDH1A1PLA2G2A | |
| SCHEMBL9322138 | 0.76 | THRA (0.54) | THRATHRBPLA2G4BESR1LMNA | |
| SCHEMBL30965244 | 0.76 | CYP19A1 (0.47) | LPAR3ALDH1A1RAB9APLA2G2ATDP1 | |
| SCHEMBL30965165 | 0.73 | ALDH1A1 (0.47) | LMNAALDH1A1AGTR1CYSLTR2CYSLTR1 | |
| SCHEMBL30965155 | 0.72 | ALDH1A1 (0.47) | LMNAALDH1A1AGTR1MAPTRAB9A |
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 |