Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13816853 | 0.83 | SMN1; SMN2 (0.44) | SMN1; SMN2CYP1A2KDM4EADORA3ADORA2A | |
| SCHEMBL2801403 | 0.83 | HSD17B10 (0.38) | KDM4EADORA3ALDH1A1RAB9ALMNA | |
| SCHEMBL5269232 | 0.81 | CLK1 (0.49) | PKMTSHR | |
| SCHEMBL5267481 | 0.81 | MDM4 (0.49) | SMN1; SMN2CYP1A2ADORA3ADORA2AADORA2B | |
| SCHEMBL5270659 | 0.80 | KDM4E (0.44) | SMN1; SMN2CYP1A2KDM4EALDH1A1RAB9A | |
| SCHEMBL23844229 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP1A2KDM4EADORA3ADORA2A | |
| SCHEMBL5268520 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2KDM4EALDH1A1RAB9ALMNA | |
| SCHEMBL5269964 | 0.79 | HTT (0.50) | SMN1; SMN2KDM4EALDH1A1RAB9ALMNA | |
| SCHEMBL5269326 | 0.78 | KDM4E (0.42) | SMN1; SMN2CYP1A2KDM4EADORA3ADORA2A | |
| SCHEMBL5268963 | 0.78 | LMNA (0.46) | SMN1; SMN2CYP1A2ALDH1A1PKMRAB9A |
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 |