Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | PPARD | Q03181 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28040727 | 0.89 | SMN1; SMN2 (0.36) | ALDH1A1HSD17B10SMN1; SMN2GAARAB9A | |
| SCHEMBL28040031 | 0.82 | PPARA (0.40) | PPARAPPARDPPARGALDH1A1KDM4E | |
| SCHEMBL28040062 | 0.79 | LMNA (0.33) | ALDH1A1SMN1; SMN2GAAMMP2RAB9A | |
| SCHEMBL28040145 | 0.77 | SLC40A1 (0.43) | ALDH1A1KDM4EHSD17B10SMN1; SMN2RAB9A | |
| SCHEMBL28040538 | 0.73 | CYP2A6 (0.42) | PPARAPPARDPPARG | |
| SCHEMBL28040528 | 0.73 | PPARG (0.34) | PPARAPPARGALDH1A1KDM4EHSD17B10 | |
| SCHEMBL27908890 | 0.70 | SMN1; SMN2 (0.57) | PPARAPPARDPPARGALDH1A1SMN1; SMN2 | |
| SCHEMBL7429598 | 0.66 | TDP1 (0.50) | PPARGALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL9079628 | 0.66 | BLM (0.71) | ALDH1A1KDM4EHSD17B10SMN1; SMN2GAA | |
| SCHEMBL1817058 | 0.66 | BLM (0.71) | ALDH1A1KDM4EHSD17B10SMN1; SMN2GAA |
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-105175392-B | A kind of carboxylic acid compound containing thiophene-structure and amide compound containing thiophene-structure and preparation method thereof | 湖南大学 | 2019-04-19 | — | — | CN | disclosed |
| CN-105175392-A | Carboxylic acid compounds containing thiophene structures and amide compounds containing thiophene structures and preparation method for carboxylic acid compounds and amide compounds | UNIV HUNAN | 2015-12-23 | — | — | CN | disclosed |