Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 5/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL26134410 | 0.81 | KIF11 (0.56) | PTPN1PTPN5KIF11CYP1A2CYP3A4 | |
| SCHEMBL27798276 | 0.77 | MEN1 (0.46) | PTPN1MEN1ESR1KMT2AAPP | |
| SCHEMBL308018 | 0.77 | NFE2L2 (0.46) | PTPN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7946647 | 0.75 | ESR1 (0.41) | MEN1ESR1KMT2ADHODHKIF11 | |
| Formic Acid SCHEMBL3169782 | 0.75 | — | — | |
| Acetaldehyde SCHEMBL895439 | 0.75 | — | — | |
| SCHEMBL28211296 | 0.74 | DRD1 (0.43) | MEN1ESR1KMT2AAPPKMO | |
| Benzene SCHEMBL21296191 | 0.73 | KIF11 (0.30) | KIF11CYP2A6 | |
| SCHEMBL7196829 | 0.73 | — | — | |
| SCHEMBL4969576 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107011138-A | A kind of preparation method of sitagliptin intermediate | 江苏汉阔生物有限公司 | 2017-08-04 | — | — | CN | claimed |
| CN-107501112-B | A kind of Chiral Synthesis of chiral beta-amino acids and the synthetic method of medicine intermediate | 苏州爱玛特生物科技有限公司 | 2019-06-11 | — | — | CN | disclosed |
| CN-105330664-B | A kind of synthetic method of Xi Gelieting impurity | 合肥华方医药科技有限公司 | 2018-06-19 | — | — | CN | disclosed |
| CN-107501112-A | A kind of Chiral Synthesis of chiral beta amino acids and the synthetic method of medicine intermediate | 苏州爱玛特生物科技有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107011138-A | A kind of preparation method of sitagliptin intermediate | 江苏汉阔生物有限公司 | 2017-08-04 | — | — | CN | disclosed |