Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADH5 | P11766 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11041891 | 0.88 | HSD17B1 (0.53) | AKR1C3AKR1C2HSD17B1ESR2ESR1 | |
| Bicarbonate SCHEMBL6362560 | 0.86 | AKR1C3 (0.47) | AKR1C3AKR1C2HSD17B1ESR2ESR1 | |
| SCHEMBL5334234 | 0.80 | — | — | |
| Bromide SCHEMBL28927015 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL28451021 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL4602569 | 0.80 | — | — | |
| Formic Acid SCHEMBL28050270 | 0.79 | ESR2 (0.48) | AKR1C3AKR1C2HSD17B1ESR2ESR1 | |
| Boric Acid SCHEMBL28033106 | 0.78 | ESR2 (0.52) | AKR1C3AKR1C2HSD17B1ESR2ESR1 | |
| SCHEMBL2350935 | 0.78 | ESR2 (0.52) | AKR1C3AKR1C2HSD17B1ESR2ESR1 | |
| SCHEMBL31628308 | 0.77 | ADH5 (0.56) | HSD17B1RARBALDH1A1TSHRADH5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102131804-B | Insecticidal compounds | SYNGENTA PARTICIPATIONS AG | 2014-12-03 | — | — | CN | disclosed |