Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8487892 | 0.89 | SIGMAR1 (0.34) | ALDH1A1LMNACHRM5CHRM1CHRM3 | |
| SCHEMBL8488750 | 0.84 | — | — | |
| SCHEMBL8489481 | 0.82 | MAPK1 (0.35) | ALDH1A1LMNASIGMAR1 | |
| SCHEMBL8489922 | 0.82 | SIGMAR1 (0.33) | SIGMAR1 | |
| SCHEMBL8488579 | 0.73 | LMNA (0.39) | ALDH1A1LMNACHRM5CHRM1CHRM3 | |
| SCHEMBL8491774 | 0.73 | — | — | |
| SCHEMBL8488572 | 0.68 | BACE1 (0.48) | ALDH1A1LMNA | |
| SCHEMBL8486007 | 0.65 | LMNA (0.44) | ALDH1A1LMNACHRM5CHRM1CHRM3 | |
| SCHEMBL8482567 | 0.61 | ITGB3 (0.40) | ALDH1A1 | |
| SCHEMBL8482371 | 0.61 | DRD2 (0.41) | ALDH1A1DRD2 |
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-5919431-A | 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-07-06 | — | — | US | disclosed |