Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | WDR5 | P61964 | 2/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.33 |
| ▸ | ATP4A | P20648 | 2/20 | 0.33 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.33 |
| ▸ | ATP4B | P51164 | 2/20 | 0.33 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.33 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.33 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL5358428 | 0.92 | BRS3 (0.46) | BRS3MAPK1CYP2C9HTTKMT2A | |
| SCHEMBL5367213 | 0.90 | BRS3 (0.44) | BRS3MAPK1CYP2C9HTTKMT2A | |
| SCHEMBL5369395 | 0.87 | CYP2C9 (0.35) | BRS3MAPK1CYP2C9HTTKMT2A | |
| SCHEMBL5363684 | 0.86 | BRS3 (0.54) | BRS3CYP2C9HTTKMT2AALDH1A1 | |
| SCHEMBL5366663 | 0.82 | PDE3B (0.36) | MAPK1KMT2ACYP1A2CYP3A4PKM | |
| SCHEMBL5358420 | 0.82 | BRS3 (0.44) | BRS3MAPK1CYP2C9HTTKMT2A | |
| SCHEMBL5369389 | 0.80 | CYP2C9 (0.34) | BRS3CYP2C9HTTKMT2AALDH1A1 | |
| SCHEMBL5370920 | 0.80 | CYP2C9 (0.36) | BRS3CYP2C9HTTKMT2AALDH1A1 | |
| SCHEMBL6505216 | 0.80 | BRS3 (0.52) | BRS3CYP2C9HTTKMT2AALDH1A1 | |
| SCHEMBL5367218 | 0.77 | BRS3 (0.39) | BRS3CYP2C9HTTKMT2AHPGD |
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 |