Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | FSHR | P23945 | 2/20 | 0.31 |
| ▸ | BTN3A1 | O00481 | 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 | |
|---|---|---|---|---|
| SCHEMBL23043040 | 0.89 | ADORA3 (0.37) | PDE1BALDH1A1SMN1; SMN2EGFRERBB2 | |
| SCHEMBL23042853 | 0.86 | ADORA3 (0.36) | ALDH1A1SMN1; SMN2NPC1RAB9ACDK2 | |
| SCHEMBL23042876 | 0.81 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL16699384 | 0.78 | ALDH1A1 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL19779236 | 0.77 | CYP3A4 (0.34) | ALDH1A1CYP3A4 | |
| SCHEMBL7209905 | 0.71 | ATM (0.40) | ALDH1A1SMN1; SMN2MAPK1CYP3A4TSHR | |
| SCHEMBL7210929 | 0.70 | ATM (0.40) | ALDH1A1SMN1; SMN2MAPK1CYP3A4TSHR | |
| SCHEMBL25224367 | 0.70 | — | — | |
| SCHEMBL19779083 | 0.69 | POLRMT (0.35) | — | |
| SCHEMBL23043039 | 0.68 | PI4KA (0.34) | ALDH1A1 |
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 |