Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.48 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.48 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL28608978 | 0.87 | PIK3CA (0.39) | IP6K1IP6K3IP6K2DYRK1ASMN1; SMN2 | |
| SCHEMBL28595680 | 0.85 | PIK3CA (0.45) | DYRK1ABCAT2GRM5 | |
| SCHEMBL28585557 | 0.82 | DYRK1A (0.41) | DYRK1ASMN1; SMN2RAB9ANPC1BLM | |
| SCHEMBL28918223 | 0.79 | DYRK1A (0.38) | DYRK1ACDK2SMN1; SMN2RAB9ABLM | |
| SCHEMBL28595068 | 0.79 | CHEK1 (0.40) | DYRK1ASMN1; SMN2RAB9ANPC1BLM | |
| SCHEMBL28601809 | 0.77 | ACVR1 (0.37) | DYRK1ASMN1; SMN2RAB9ABLMSRC | |
| SCHEMBL28590000 | 0.75 | DYRK1A (0.35) | DYRK1ASMN1; SMN2RAB9ABLMPARP1 | |
| SCHEMBL30947487 | 0.75 | DYRK1A (0.40) | IP6K1IP6K3IP6K2DYRK1ASMN1; SMN2 | |
| SCHEMBL12540751 | 0.74 | ACHE (0.35) | DYRK1ASMN1; SMN2RAB9ABLMPARP1 | |
| SCHEMBL28918230 | 0.74 | KDM4A (0.38) | DYRK1ASMN1; SMN2RAB9ABLMPARP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117683033-A | Substituted alkynyl heterocyclic compounds | 首药控股(北京)股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| 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 |