Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 5/20 | 0.52 |
| ▸ | DPP7 | Q9UHL4 | 5/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ME2 | P23368 | 1/20 | 0.48 |
| ▸ | ME1 | P48163 | 1/20 | 0.48 |
| ▸ | ME3 | Q16798 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1870932 | 0.79 | ALDH1A1 (0.67) | ALDH1A1GAADPP4DPP7KCNH2 | |
| SCHEMBL30136006 | 0.79 | TSHR (0.60) | ALDH1A1GAADPP4DPP7KCNH2 | |
| SCHEMBL22605564 | 0.78 | EPHX2 (0.56) | SIGMAR1EPHX2ME2ME1ME3 | |
| SCHEMBL28523034 | 0.78 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1KCNH2EPHX2POLB | |
| SCHEMBL22605908 | 0.77 | HRH3 (0.58) | SIGMAR1EPHX2ME2ME1ME3 | |
| SCHEMBL30981191 | 0.77 | ITGB3 (0.56) | ALDH1A1GAADPP4DPP7KCNH2 | |
| SCHEMBL30135921 | 0.77 | ALDH1A1 (0.54) | ALDH1A1GAADPP4DPP7KCNH2 | |
| SCHEMBL14650005 | 0.76 | CTSL (0.53) | SIGMAR1SLC6A5ALDH1A1GAADPP4 | |
| SCHEMBL24692549 | 0.76 | DPP4 (0.58) | ALDH1A1GAADPP4DPP7KCNH2 | |
| SCHEMBL21228046 | 0.76 | ALDH1A1 (0.58) | ALDH1A1GAADPP4DPP7KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216378-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME | 健艾仕生物医药有限公司 | 2020-10-29 | — | — | WO | disclosed |