Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MLKL | Q8NB16 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL5269326 | 0.87 | KDM4E (0.42) | SMN1; SMN2CYP1A2ADORA3ADORA2AADORA2B | |
| SCHEMBL5265886 | 0.83 | LMNA (0.45) | SMN1; SMN2CYP1A2KDM4EMEN1KMT2A | |
| SCHEMBL5267963 | 0.81 | MLKL (0.43) | SMN1; SMN2CYP1A2MEN1KMT2AMLKL | |
| SCHEMBL5266813 | 0.80 | MEN1 (0.35) | SMN1; SMN2MEN1POLBKMT2ABRD4 | |
| SCHEMBL5265268 | 0.80 | KCNA5 (0.46) | SMN1; SMN2CYP1A2ADORA3ADORA2AADORA2B | |
| SCHEMBL13816853 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP1A2ADORA3ADORA2AADORA2B | |
| SCHEMBL5270110 | 0.79 | KCNK3 (0.42) | SMN1; SMN2CYP1A2KDM4EBRD4 | |
| SCHEMBL5271810 | 0.79 | KCNA5 (0.50) | SMN1; SMN2KDM4EPOLBTSHR | |
| SCHEMBL5265233 | 0.79 | ALDH1A1 (0.44) | SMN1; SMN2ADORA2AKDM4EPOLBKMT2A | |
| SCHEMBL5269256 | 0.78 | TSHR (0.44) | SMN1; SMN2CYP1A2MEN1POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1847531-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2007-10-24 | — | — | EP | disclosed |