Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL28355402 | 0.86 | CYP2C9 (0.80) | HTTCYP2C9ALDH1A1POLBLMNA | |
| SCHEMBL28352130 | 0.86 | CYP2C9 (0.80) | HTTCYP2C9ALDH1A1POLBLMNA | |
| SCHEMBL12793847 | 0.85 | CYP2C9 (0.78) | HTTCYP2C9ALDH1A1POLBLMNA | |
| SCHEMBL7050029 | 0.80 | KMT2A (0.69) | HTTLMNAMEN1KMT2ATDP1 | |
| SCHEMBL6791735 | 0.80 | CYP2C9 (0.69) | HTTCYP2C9ALDH1A1POLBMAPK1 | |
| SCHEMBL5243271 | 0.79 | KMT2A (0.67) | HTTALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL4212318 | 0.79 | LMNA (0.71) | HTTALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL10900999 | 0.79 | CYP2C9 (0.71) | HTTCYP2C9ALDH1A1POLBMEN1 | |
| SCHEMBL20993908 | 0.79 | CYP2D6 (0.65) | HTTALDH1A1POLBLMNAESR1 | |
| SCHEMBL1156412 | 0.77 | TSHR (0.56) | HTTALDH1A1POLBLMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110759889-B | 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2022-05-20 | — | — | CN | disclosed |
| CN-110759889-A | 2-aryl amido substituted thiophene imide ester compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2020-02-07 | — | — | CN | disclosed |