Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27941989 | 1.00 | ALDH1A1 (0.56) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL3105248 | 0.90 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL9503944 | 0.90 | ALDH1A1 (0.60) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27656690 | 0.83 | ALDH1A1 (0.69) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27941858 | 0.80 | ALDH1A1 (0.47) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27941894 | 0.80 | ALDH1A1 (0.47) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27941859 | 0.80 | ALDH1A1 (0.47) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27941891 | 0.80 | ALDH1A1 (0.47) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL27519887 | 0.80 | ALDH1A1 (0.64) | ALDH1A1PTGS2SLC22A2SLC22A1SLC22A3 | |
| Biphenyl SCHEMBL2136748 | 0.79 | ALDH1A1 (0.75) | ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4 |
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-103384659-B | Thioamide compound and produce the method for this compound, [(4R, 6R)-6-aminoethyl-1,3-dioxane-4-yl] acetic ester derivative and atorvastatin | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 2015-11-25 | — | — | CN | disclosed |
| CN-103384659-A | Thioamide compound, method for producing thioamide compound, method for producing [(4r,6r)-6-aminoethyl-1,3-dioxane-4-yl]acetate derivative, and method for producing atorvastatin | MICROBIAL CHEM RES FOUND | 2013-11-06 | — | — | CN | disclosed |