Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 4/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 1/20 | 0.34 |
| ▸ | CASP5 | P51878 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14157427 | 0.76 | UBE2T (0.40) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14157406 | 0.74 | ALDH1A1 (0.42) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27426567 | 0.73 | CCR6 (0.46) | CYP1A2RAB9ACCR6CASP1CASP4 | |
| SCHEMBL27419915 | 0.72 | RBP4 (0.44) | CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL25058189 | 0.72 | CHRM3 (0.44) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4874962 | 0.69 | HRH4 (0.54) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL21863616 | 0.68 | CHRNB2 (0.47) | — | |
| SCHEMBL6017340 | 0.68 | CHRM3 (0.47) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27421331 | 0.67 | ROCK2 (0.42) | CYP1A2SMN1; SMN2ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL14127788 | 0.67 | CHRM3 (0.46) | CHRM3PDE4APDE4BPDE4CPDE4D |
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-2021210650-A1 | ARYL OR HETEROARYL DERIVATIVE | 帝人ファーマ株式会社 | 2021-10-21 | — | — | WO | disclosed |