Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | CHRM2 | P08172 | 13/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.54 |
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | ACHE | P22303 | 4/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8670823 | 0.88 | CHRM2 (0.56) | ALDH1A1CHRM2GRIN1GRIN2ABCHE | |
| SCHEMBL4918881 | 0.84 | CHRM2 (0.80) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL4918894 | 0.84 | CHRM2 (0.80) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL4918374 | 0.84 | CHRM2 (0.80) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL9033719 | 0.83 | MAPK1 (0.73) | ALDH1A1MAPK1CYP2D6RECQL | |
| SCHEMBL4909317 | 0.80 | CHRM2 (0.79) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL10282637 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CHRM2MAPK1GRIN1GRIN2A | |
| SCHEMBL31367150 | 0.79 | CHRM2 (0.52) | ALDH1A1CHRM2GRIN1GRIN2ABCHE | |
| SCHEMBL8770313 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CHRM2MAPK1CYP2D6CYP3A4 | |
| SCHEMBL21243275 | 0.76 | ALDH1A1 (0.58) | ALDH1A1MAPK1BCHECYP2D6RECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-5853699-A | Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-29 | — | — | US | disclosed |