Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL25610667 | 0.73 | CHRNB2 (0.33) | CHRNB2CHRNA4GAAALPGGFER | |
| SCHEMBL11296604 | 0.69 | CHRNB2 (0.38) | CHRNB2CHRNA4GAAALPGGFER | |
| SCHEMBL28514121 | 0.67 | HSD11B1 (0.39) | CHRNB2CHRNA4GAAALPGGFER | |
| SCHEMBL25043765 | 0.67 | ADH1B (0.44) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL7356670 | 0.65 | BRD4 (0.37) | CHRNB2CHRNA4GAAALPGGFER | |
| SCHEMBL23507412 | 0.65 | ADH1B (0.42) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL29387553 | 0.65 | POLB (0.32) | LMNA | |
| SCHEMBL2856349 | 0.64 | ALDH1A1 (0.54) | GAA | |
| SCHEMBL701626 | 0.64 | — | — | |
| SCHEMBL7417993 | 0.64 | HTT (0.38) | CHRNB2CHRNA4GAAALPGGFER |
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-2019194319-A1 | PROCESS FOR THE SYNTHESIS OF 2-[(2S)-1-AZABICYCLO[2.2.2]OCT-2-YL]-6- (3-METHYL-1 H-PYRAZOL-4-YL)THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-10-10 | — | — | WO | disclosed |