Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFATC1 | O95644 | 1/20 | 0.47 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.47 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | PRKCG | P05129 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | FES | P07332 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | ROS1 | P08922 | 1/20 | 0.45 |
| ▸ | FER | P16591 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | FLT4 | P35916 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5269216 | 0.90 | HDAC1 (0.46) | NFATC1PADI4PADI2NPC1MAPT | |
| SCHEMBL5267173 | 0.85 | HPGD (0.49) | NPC1MAPTRAB9A | |
| SCHEMBL5274230 | 0.83 | HPGD (0.49) | ROCK1MAP4K4PRKCGPKN2MAP4K5 | |
| SCHEMBL9764513 | 0.82 | CTNNB1 (0.58) | NFATC1PADI4PADI2NR1H4NPC1 | |
| SCHEMBL5269714 | 0.81 | ROCK2 (0.54) | NR1H4NPC1RAB9AROCK1MAP4K4 | |
| SCHEMBL5265277 | 0.80 | TAS1R3 (0.50) | NFATC1NPC1MAPTRAB9AMAOA | |
| SCHEMBL5269031 | 0.79 | HPGD (0.62) | HDAC1MAPK14 | |
| SCHEMBL5320217 | 0.78 | MAPK14 (0.55) | NR1H4RAB9AROCK1MAP4K4PRKCG | |
| SCHEMBL5270246 | 0.78 | NPC1 (0.57) | NPC1MAPTRAB9AHDAC3HDAC1 | |
| SCHEMBL5271804 | 0.77 | SMYD3 (0.51) | NPC1MAPTRAB9AMAOAMAOB |
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 |