Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL378760 | 0.88 | EPHX2 (0.46) | EPHX2MAPK1MAPTOPRL1NPY1R | |
| SCHEMBL13102753 | 0.88 | EPHX2 (0.46) | EPHX2MAPK1MAPTOPRL1NPY1R | |
| SCHEMBL378776 | 0.78 | TACR3 (0.40) | EPHX2MAPK1MEN1KMT2AKCNH2 | |
| SCHEMBL13102875 | 0.78 | KMT2A (0.40) | EPHX2MAPK1OPRL1KDM4EMEN1 | |
| SCHEMBL13092255 | 0.78 | KMT2A (0.40) | EPHX2MAPK1OPRL1KDM4EMEN1 | |
| SCHEMBL7914106 | 0.72 | EPHX2 (0.51) | EPHX2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL13092254 | 0.72 | KIT (0.44) | MAPTNPY1RSLC6A4MEN1ALDH1A1 | |
| SCHEMBL7901967 | 0.70 | MAPK1 (0.43) | MAPK1OPRL1ALDH1A1KCNH2CACNA1I | |
| SCHEMBL13102668 | 0.70 | MAPK1 (0.43) | MAPK1OPRL1ALDH1A1KCNH2CACNA1I | |
| SCHEMBL378687 | 0.70 | MGLL (0.44) | OPRL1ALDH1A1POLBHSD11B1 |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |