Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 10/20 | 0.36 |
| ▸ | WDR5 | P61964 | 3/20 | 0.35 |
| ▸ | BRS3 | P32247 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.35 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7231447 | 0.94 | CYP2C9 (0.40) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7223811 | 0.88 | CYP2C9 (0.41) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7008144 | 0.88 | CYP2C9 (0.41) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7225332 | 0.88 | KMT2A (0.41) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7225976 | 0.88 | CYP2C9 (0.37) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7013702 | 0.87 | CYP2C9 (0.43) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7009476 | 0.86 | CYP2C9 (0.45) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7231795 | 0.85 | CYP2C9 (0.43) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7008048 | 0.84 | CYP2C9 (0.42) | CYP2C9KMT2AMEN1HTR6WDR5 | |
| SCHEMBL7009636 | 0.84 | CYP2C9 (0.44) | CYP2C9KMT2AMEN1HTR6WDR5 |
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-6559167-B1 | Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under | REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2003-05-06 | — | — | US | disclosed |