Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255909 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL517130 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL3256967 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL4430667 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL12569046 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL24017139 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL895700 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL1248016 | 0.79 | ESR1 (0.54) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL143737 | 0.77 | ESR1 (0.52) | ESR1ACHETSHRALDH1A1CYP3A4 | |
| SCHEMBL624799 | 0.77 | ESR1 (0.52) | ESR1ACHETSHRALDH1A1CYP3A4 |
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-2012037204-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |