Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974131 | 0.89 | TYR (0.62) | TYRCA2AKR1B10AKR1B1PKM | |
| SCHEMBL15298982 | 0.78 | CA12 (0.49) | TYRCA2AKR1B10AKR1B1PKM | |
| SCHEMBL25198993 | 0.76 | F3 (0.77) | PKMESR1ESR2F3TLR9 | |
| SCHEMBL25208467 | 0.76 | F3 (0.77) | PKMESR1ESR2F3TLR9 | |
| SCHEMBL16088502 | 0.72 | MMP1 (0.62) | TYRCA2AKR1B10AKR1B1PKM | |
| SCHEMBL9972287 | 0.70 | THRB (0.67) | F3GSK3BBACE1MAOBCYP3A4 | |
| SCHEMBL107699 | 0.70 | — | — | |
| SCHEMBL19415817 | 0.70 | GLA (0.59) | TYRCA2AKR1B10AKR1B1PKM | |
| SCHEMBL15483131 | 0.70 | HDAC1 (0.54) | TYRCA2AKR1B10AKR1B1PKM | |
| Coumaric Acid SCHEMBL28320218 | 0.70 | ESR1 (0.84) | TYRCA2AKR1B10AKR1B1PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3150203-B1 | COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF | ALLIANZ PHARMASCIENCE LTD (TW) | 2020-02-19 | — | — | EP | disclosed |
| EP-3150203-A1 | COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF | Allianz Pharmascience Ltd (TW) | 2017-04-05 | — | — | EP | disclosed |