Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PAM | P19021 | 1/20 | 0.40 |
| ▸ | F11 | P03951 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27888004 | 0.90 | EPHX2 (0.50) | EPHX2TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL28032139 | 0.83 | OPRM1 (0.40) | EPHX2TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL7798099 | 0.82 | EPHX2 (0.62) | EPHX2TSHRALDH1A1L3MBTL1 | |
| SCHEMBL529330 | 0.75 | TSHR (0.71) | TSHRALDH1A1GAA | |
| SCHEMBL3816681 | 0.75 | TSHR (0.71) | TSHRALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL4151898 | 0.74 | TSHR (0.70) | TSHRALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL4151894 | 0.74 | TSHR (0.70) | TSHRALDH1A1GAA | |
| SCHEMBL2706390 | 0.71 | EPHX2 (0.63) | EPHX2TSHRALDH1A1 | |
| SCHEMBL28052856 | 0.71 | EPHX1 (0.47) | EPHX2TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL5028140 | 0.70 | EPHX1 (0.69) | EPHX2TSHRALDH1A1L3MBTL1GAA |
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-103153063-B | Quinoline derivatives and melk inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2016-02-17 | — | — | CN | disclosed |