Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | FSHR | P23945 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL23042877 | 0.89 | PDE1B (0.33) | PDE1BNPC1RAB9AEGFRERBB2 | |
| SCHEMBL23043039 | 0.78 | PI4KA (0.34) | ADORA3POLBALDH1A1 | |
| SCHEMBL15607006 | 0.76 | ADORA3 (0.50) | ADORA3ADORA1ADORA2A | |
| SCHEMBL26832567 | 0.75 | TMPRSS2 (0.37) | MAPK1 | |
| SCHEMBL15605871 | 0.75 | PI4KA (0.49) | ADORA3ADORA1SMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL16698763 | 0.74 | TMPRSS2 (0.40) | ADORA3ALDH1A1TDP1 | |
| SCHEMBL16710860 | 0.73 | TMPRSS2 (0.38) | — | |
| SCHEMBL23042853 | 0.73 | ADORA3 (0.36) | ADORA3NPC1RAB9ATSHRADORA1 | |
| SCHEMBL25495987 | 0.69 | TMPRSS2 (0.41) | ADORA3ADORA1SMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL15607008 | 0.69 | ADORA3 (0.43) | ADORA3TSHRADORA1MAPK1ADORA2A |
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-2021040356-A1 | C-NUCLEOSIDES, C-NUCLEOTIDES AND THEIR ANALOGS, EQUIVALENTS AND PRODRUGS THEREOF FOR ECTONUCLEOTIDASE INHIBITION | KAINOS MEDICINE, INC. (KR) | 2021-03-04 | — | — | WO | disclosed |