Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | GLA | P06280 | 7/20 | 0.46 |
| ▸ | GAA | P10253 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | CASP1 | P29466 | 4/20 | 0.46 |
| ▸ | CASP7 | P55210 | 4/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6828141 | 0.80 | ESR2 (0.85) | ESR1ESR2 | |
| SCHEMBL22840385 | 0.69 | KDM4E (0.58) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL13177605 | 0.67 | KDM4E (0.48) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL6828097 | 0.67 | ESR2 (1.00) | ESR1ESR2KDM4EGAAHPGD | |
| SCHEMBL17716549 | 0.63 | KDM4E (0.66) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL9742463 | 0.63 | KDM4E (0.63) | ESR2KDM4EALDH1A1GLAGAA | |
| SCHEMBL19269202 | 0.62 | GPR35 (0.39) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL22702331 | 0.61 | KDM4E (0.41) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL8568000 | 0.61 | KDM4E (0.41) | ESR1ESR2KDM4EALDH1A1GLA | |
| SCHEMBL19085443 | 0.61 | KDM4E (0.41) | ESR1ESR2KDM4EALDH1A1GLA |
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-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | claimed |