Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL24226832 | 1.00 | BTK (0.40) | BTKCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL22042611 | 0.87 | BTK (0.51) | BTKKDM1ANFKB1NFKB2RELA | |
| SCHEMBL24226870 | 0.87 | BTK (0.43) | BTKCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL23912332 | 0.87 | BTK (0.43) | BTKCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL23912327 | 0.85 | BTK (0.42) | BTKCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL18588979 | 0.82 | BTK (0.44) | BTKCHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL18581296 | 0.82 | CHRM2 (0.41) | BTKKDM1ANFKB1NFKB2RELA | |
| SCHEMBL18582031 | 0.82 | CHRM2 (0.41) | BTKKDM1ANFKB1NFKB2RELA | |
| SCHEMBL18603180 | 0.82 | CHRM2 (0.41) | BTKKDM1ANFKB1NFKB2RELA | |
| SCHEMBL18606748 | 0.82 | CHRM2 (0.41) | BTKKDM1ANFKB1NFKB2RELA |
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-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |