Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | WNT1 | P04628 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5271804 | 0.83 | SMYD3 (0.51) | MAOBMAOAABL1NPC1RAB9A | |
| SCHEMBL5270083 | 0.82 | MAOA (0.44) | MAOBMAOAABL1NPC1RAB9A | |
| SCHEMBL8514379 | 0.82 | TAS1R3 (0.68) | TAS1R3TAS1R1MAOBMAOAABL1 | |
| SCHEMBL5269941 | 0.80 | NFATC1 (0.47) | MAOBMAOANPC1RAB9AMAPT | |
| SCHEMBL5269216 | 0.79 | HDAC1 (0.46) | NPC1RAB9AMAPTNFATC1ALDH1A1 | |
| SCHEMBL5267173 | 0.78 | HPGD (0.49) | NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL5267481 | 0.77 | MDM4 (0.49) | NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL5266785 | 0.76 | F10 (0.54) | NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL5273753 | 0.75 | MLYCD (0.49) | MAPT | |
| SCHEMBL5266131 | 0.75 | LMNA (0.50) | NPC1RAB9AMAPTALDH1A1 |
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 |