Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14072861 | 0.91 | CA2 (0.53) | CA2CYP4A11LTA4HEPHX2ALDH1A1 | |
| SCHEMBL239040 | 0.87 | CA2 (0.60) | CA2CYP4A11LTA4HEPHX2ALDH1A1 | |
| SCHEMBL1109793 | 0.84 | CA2 (0.59) | CA2CYP4A11ALDH1A1PPARATRPA1 | |
| SCHEMBL5497046 | 0.84 | TSHR (0.46) | CA2CYP4A11ALDH1A1TRPA1TSHR | |
| SCHEMBL16148472 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TRPA1TSHRCES2CES1 | |
| SCHEMBL547631 | 0.84 | CA2 (0.58) | CA2CYP4A11LTA4HEPHX2ALDH1A1 | |
| SCHEMBL242247 | 0.81 | CA2 (0.62) | CA2CYP4A11LTA4HEPHX2ALDH1A1 | |
| SCHEMBL5515 | 0.80 | TAAR1 (0.52) | CA2CYP4A11LTA4HEPHX2PPARA | |
| SCHEMBL2329516 | 0.79 | CA2 (0.54) | CA2CYP4A11LTA4HEPHX2PPARA | |
| SCHEMBL3535251 | 0.79 | CA2 (0.54) | CA2CYP4A11LTA4HEPHX2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0487270-A2 | HIV protease inhibitors having polyether substituents | MERCK & CO. INC. (US) | 1992-05-27 | — | — | EP | disclosed |