Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA5A | P35218 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.41 |
| ▸ | CDK2 | P24941 | 6/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2179765 | 0.80 | CYP1A2 (0.42) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL8103923 | 0.78 | CCNE1 (0.40) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL12327804 | 0.77 | HCAR2 (0.40) | CA12CA1CA2CA9NR1I2 | |
| SCHEMBL19112092 | 0.76 | CYP1A2 (0.45) | CA12CA1CA2CA5ACA9 | |
| SCHEMBL2177873 | 0.73 | UGT1A1 (0.43) | DPP4NR1I2NMBRGRPRBRS3 | |
| SCHEMBL8152590 | 0.73 | UGT1A1 (0.43) | DPP4NR1I2NMBRGRPRBRS3 | |
| SCHEMBL3393562 | 0.73 | UGT1A1 (0.43) | DPP4NR1I2NMBRGRPRBRS3 | |
| SCHEMBL2179773 | 0.73 | CDK2 (0.46) | CDK2CCNE1CDK5CDK9CDK1 | |
| SCHEMBL19112162 | 0.73 | TAAR1 (0.58) | CA12CA1CA2CA5ACA9 | |
| Hydrochloric Acid SCHEMBL1300940 | 0.72 | UGT1A1 (0.43) | DPP4NR1I2NMBRGRPRBRS3 |
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 |