Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | WDR5 | P61964 | 2/20 | 0.34 |
| ▸ | BRS3 | P32247 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.34 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5366904 | 0.87 | CYP2C9 (0.36) | CYP2C9ALDH1A1CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL5367178 | 0.86 | CYP2C9 (0.36) | CYP2C9ALDH1A1CYP2C19SMN1; SMN2KMT2A | |
| SCHEMBL5368037 | 0.82 | ALDH1A1 (0.37) | CYP2C9ALDH1A1LMNAKMT2AMAPT | |
| SCHEMBL14495756 | 0.76 | CYP2C9 (0.40) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL5368641 | 0.76 | CYP2C9 (0.40) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL5320866 | 0.75 | CYP2C9 (0.40) | CYP2C9ALDH1A1CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL5370630 | 0.75 | CYP2C9 (0.42) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL14495759 | 0.75 | CYP2C9 (0.42) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL5366593 | 0.74 | MAPK1 (0.51) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 | |
| SCHEMBL14356226 | 0.71 | CYP2C9 (0.40) | MAPK1CYP2C9ALDH1A1CYP2C19SMN1; SMN2 |
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-7294716-B2 | Process for preparing isomerically pure prodrugs of proton pump inhibitors | ALLERGAN, INC. (US) | 2007-11-13 | — | — | US | disclosed |