Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8221572 | 0.79 | THRB (0.40) | EPHX2EPHX1THRBCYP2C9ALDH1A1 | |
| SCHEMBL6158216 | 0.78 | EPHX2 (0.33) | HSD11B1EPHX2 | |
| SCHEMBL17350122 | 0.78 | EPHX2 (0.31) | HSD11B1EPHX2 | |
| SCHEMBL14786479 | 0.78 | ALDH1A1 (0.36) | HSD11B1EPHX2EPHX1ALDH1A1KDM4E | |
| SCHEMBL1675961 | 0.77 | FAAH (0.55) | HSD11B1EPHX2EPHX1KMT2AFAAH | |
| SCHEMBL1539100 | 0.77 | ALDH1A1 (0.44) | HSD11B1EPHX2EPHX1ALDH1A1KMT2A | |
| SCHEMBL29084428 | 0.74 | GRIN2D (0.39) | HSD11B1EPHX2EPHX1ALDH1A1KMT2A | |
| SCHEMBL6742682 | 0.69 | THRB (0.36) | HSD11B1EPHX2EPHX1THRBCYP2C9 | |
| SCHEMBL6158222 | 0.69 | SIGMAR1 (0.39) | — | |
| SCHEMBL17350282 | 0.69 | HSD11B1 (0.54) | HSD11B1EPHX2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105112469-A | Method for preparing saxagliptin chiral intermediate through enzymatic-catalysis asymmetric transamination | FUJIAN INST MICROBIOLOGY | 2015-12-02 | — | — | CN | disclosed |