Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR1 | Q04771 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | 0.77 | IP6K1 (0.48) | GRM5SRCLMNATSHRADORA2A | |
| SCHEMBL28917753 | 0.77 | DYRK1A (0.32) | LMNATSHRADORA2ASLC6A4ADRA1A | |
| SCHEMBL28918223 | 0.76 | DYRK1A (0.38) | ALDH1A1LMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28918230 | 0.76 | KDM4A (0.38) | LMNATSHRADORA2ASLC6A4ADRA1A | |
| SCHEMBL28608978 | 0.76 | PIK3CA (0.39) | HAO1GRM5LMNATSHRADORA2A | |
| SCHEMBL28595680 | 0.74 | PIK3CA (0.45) | HAO1GRM5DYRK1A | |
| SCHEMBL12540751 | 0.71 | ACHE (0.35) | ALDH1A1LMNATSHRADORA2ASLC6A4 | |
| SCHEMBL12541355 | 0.70 | ACHE (0.34) | ALDH1A1LMNATSHRADORA2ASLC6A4 | |
| SCHEMBL28590000 | 0.70 | DYRK1A (0.35) | ALDH1A1LMNATSHRADORA2ASLC6A4 | |
| SCHEMBL30947487 | 0.70 | DYRK1A (0.40) | ALDH1A1LMNATSHRADORA2ASLC6A4 |
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 |