Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM4B | O94953 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28599648 | 0.87 | IP6K1 (0.48) | DYRK1AIP6K1IP6K3IP6K2LMNA | |
| SCHEMBL28595680 | 0.84 | PIK3CA (0.45) | PIK3CAMTORDYRK1APIK3CDPIK3CG | |
| SCHEMBL28585557 | 0.78 | DYRK1A (0.41) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28918223 | 0.78 | DYRK1A (0.38) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28595068 | 0.77 | CHEK1 (0.40) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28601809 | 0.76 | ACVR1 (0.37) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28590000 | 0.74 | DYRK1A (0.35) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL30947487 | 0.74 | DYRK1A (0.40) | DYRK1AIP6K1IP6K3IP6K2LMNA | |
| SCHEMBL12540751 | 0.73 | ACHE (0.35) | DYRK1ALMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28918230 | 0.73 | KDM4A (0.38) | DYRK1AKDM4AKDM4BKDM5BLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113880842-A | Substituted alkynyl heterocyclic compounds | 首药控股(北京)有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-113004282-A | Substituted alkynyl heterocyclic compounds | 首药控股(北京)有限公司 | 2021-06-22 | — | — | CN | disclosed |