Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.47 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30718412 | 0.79 | CA1 (0.49) | ALDH1A1HTTGAAALOX12LMNA | |
| SCHEMBL30718449 | 0.79 | ALDH1A1 (0.53) | ALDH1A1HTTGAALMNAMEN1 | |
| SCHEMBL30718477 | 0.79 | HPGD (0.59) | ALDH1A1HTTGAALMNAMEN1 | |
| SCHEMBL5990089 | 0.77 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1RNASEH1ALDH1A1HTT | |
| SCHEMBL8130100 | 0.76 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1RNASEH1ALDH1A1HTT | |
| SCHEMBL30718410 | 0.75 | LIG1 (0.53) | ALDH1A1HTTHIF1ALMNACNR1 | |
| SCHEMBL29277362 | 0.74 | CYP1A2 (0.55) | HSP90AA1HSP90AB1RNASEH1ALDH1A1HTT | |
| SCHEMBL11726606 | 0.72 | AKR1B1 (0.42) | ALDH1A1LMNA | |
| SCHEMBL2354241 | 0.71 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1RNASEH1ALDH1A1HTT | |
| SCHEMBL1649282 | 0.71 | ALDH1A1 (0.62) | HSP90AA1HSP90AB1RNASEH1ALDH1A1HTT |
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-117285451-A | Polysubstituted pyrrole compound and synthetic method and application thereof | 重庆文理学院 | 2023-12-26 | — | — | CN | disclosed |