Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 5/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.39 |
| ▸ | NMBR | P28336 | 1/20 | 0.39 |
| ▸ | GRPR | P30550 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA5A | P35218 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8103923 | 0.88 | CCNE1 (0.40) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL12327804 | 0.84 | HCAR2 (0.40) | NR1I2NMBRGRPRBRS3KCNH2 | |
| SCHEMBL2179770 | 0.80 | CA12 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL13699920 | 0.79 | UGT1A1 (0.39) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL3393562 | 0.78 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 | |
| SCHEMBL2177873 | 0.78 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 | |
| SCHEMBL8152590 | 0.78 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 | |
| Hydrochloric Acid SCHEMBL6156798 | 0.77 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 | |
| Hydrochloric Acid SCHEMBL30018372 | 0.77 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 | |
| Hydrochloric Acid SCHEMBL1300940 | 0.77 | UGT1A1 (0.43) | NR1I2NMBRGRPRBRS3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |