Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | WDR5 | P61964 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | BRS3 | P32247 | 2/20 | 0.39 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.39 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.39 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.39 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.39 |
| ▸ | ATP4A | P20648 | 2/20 | 0.39 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.39 |
| ▸ | ATP4B | P51164 | 2/20 | 0.39 |
| ▸ | ATP1B3 | P54709 | 2/20 | 0.39 |
| ▸ | FXYD2 | P54710 | 2/20 | 0.39 |
| ▸ | ATP1A4 | Q13733 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7231880 | 0.94 | CYP2C9 (0.42) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7223811 | 0.92 | CYP2C9 (0.41) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7013702 | 0.89 | CYP2C9 (0.43) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7009476 | 0.88 | CYP2C9 (0.45) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7225202 | 0.88 | CYP2C9 (0.39) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7231795 | 0.88 | CYP2C9 (0.43) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL5339698 | 0.87 | CYP2C9 (0.43) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7009636 | 0.87 | CYP2C9 (0.44) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL5339696 | 0.86 | CYP2C9 (0.43) | KMT2ACYP2C9MEN1ALDH1A1WDR5 | |
| SCHEMBL7225976 | 0.86 | CYP2C9 (0.37) | KMT2ACYP2C9MEN1ALDH1A1WDR5 |
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 |