Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL117692 | 0.85 | KCNN4 (0.48) | CYP19A1ALDH1A1TSHRKCNN4GAA | |
| SCHEMBL5966718 | 0.85 | KCNN4 (0.48) | CYP19A1ALDH1A1TSHRKCNN4GAA | |
| SCHEMBL29467226 | 0.85 | KCNN4 (0.48) | CYP19A1ALDH1A1TSHRKCNN4GAA | |
| SCHEMBL29057192 | 0.83 | KCNN4 (0.46) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| Benzene SCHEMBL29136712 | 0.83 | KCNN4 (0.52) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| Ammonia Solution, Strong SCHEMBL15562823 | 0.83 | KCNN4 (0.46) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| SCHEMBL28034993 | 0.83 | KCNN4 (0.46) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| SCHEMBL5607381 | 0.83 | KCNN4 (0.46) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| SCHEMBL4463108 | 0.83 | KCNN4 (0.46) | CYP19A1ALDH1A1TSHRKCNN4KCNJ5 | |
| SCHEMBL6564279 | 0.82 | ALDH1A1 (0.63) | CYP19A1ALDH1A1TSHRKIF11 |
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-0630394-B1 | SOLVENT MIXTURES HAVING ENHANCED EVAPORATION | OCCIDENTAL CHEM CO (US) | 1996-12-27 | — | — | EP | claimed |