Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 5/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084313 | 0.83 | MAPK1 (0.42) | MAPK1SMN1; SMN2KDM1AMAOASIGMAR1 | |
| SCHEMBL15081993 | 0.80 | MAPK1 (0.40) | MAPK1SMN1; SMN2KDM1AMAOASIGMAR1 | |
| SCHEMBL807652 | 0.79 | SIGMAR1 (0.47) | MAPK1SMN1; SMN2KDM1AMAOASIGMAR1 | |
| SCHEMBL15084343 | 0.71 | OPRM1 (0.46) | MAPK1SMN1; SMN2OPRM1OPRD1ABCB1 | |
| SCHEMBL15081992 | 0.68 | OPRM1 (0.43) | MAPK1SMN1; SMN2OPRM1OPRD1ABCB1 | |
| SCHEMBL30662723 | 0.68 | SIGMAR1 (0.49) | MAPK1SMN1; SMN2SIGMAR1OPRM1OPRD1 | |
| SCHEMBL22331204 | 0.68 | SIGMAR1 (0.49) | MAPK1SMN1; SMN2SIGMAR1OPRM1OPRD1 | |
| SCHEMBL22331167 | 0.67 | SIGMAR1 (0.51) | MAPK1SMN1; SMN2SIGMAR1OPRM1OPRD1 | |
| SCHEMBL7706276 | 0.67 | L3MBTL1 (0.44) | MAPK1SMN1; SMN2KDM1AMAOASLC6A2 | |
| SCHEMBL10212378 | 0.67 | MAPK1 (0.63) | MAPK1SMN1; SMN2SLC6A2SLC6A4SLC6A3 |
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-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |