Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28539803 | 0.85 | ABCB1 (0.43) | HTTLMNAMAPTABCB1GRM1 | |
| SCHEMBL28539472 | 0.85 | ABCB1 (0.59) | HTTLMNAMAPTABCB1MEN1 | |
| SCHEMBL28541655 | 0.82 | RAB9A (0.47) | HTTLMNAMAPTABCB1ALDH1A1 | |
| SCHEMBL28910165 | 0.82 | ABCB1 (0.44) | HTTLMNAMAPTABCB1KDM4E | |
| SCHEMBL28541653 | 0.81 | TP53 (0.43) | LMNAMAPTALDH1A1KDM4EGRM1 | |
| SCHEMBL28539076 | 0.78 | JAK1 (0.43) | HTTLMNAMAPTALDH1A1GRM1 | |
| SCHEMBL28531356 | 0.77 | ALDH1A1 (0.44) | LMNAMAPTABCB1ALDH1A1KDM4E | |
| SCHEMBL28697595 | 0.74 | ABCB1 (0.60) | HTTLMNAMAPTABCB1PDE11A | |
| SCHEMBL28533711 | 0.74 | PLA2G4A (0.47) | MAPTALDH1A1L3MBTL1 | |
| SCHEMBL18947278 | 0.71 | DYRK1A (0.42) | HTTLMNAMAPTALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112574090-A | Sulfur-containing polysubstituted pyrrole compound and preparation method thereof | 浙大城市学院 | 2021-03-30 | — | — | CN | claimed |
| CN-112574090-B | Sulfur-containing polysubstituted pyrrole compound and preparation method thereof | 浙大城市学院 | 2022-04-29 | — | — | CN | disclosed |
| CN-112574090-A | Sulfur-containing polysubstituted pyrrole compound and preparation method thereof | 浙大城市学院 | 2021-03-30 | — | — | CN | disclosed |