Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071950 | 0.93 | ESR1 (0.48) | ESR1ESR2KDM4EALDH1A1ADRA2A | |
| SCHEMBL36980 | 0.86 | MEP1B (0.44) | ESR1ESR2CYP17A1CYP3A4CYP19A1 | |
| SCHEMBL28439714 | 0.83 | CALM1 (0.52) | ALOX5 | |
| SCHEMBL278270 | 0.82 | ESR1 (0.67) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL1121382 | 0.81 | ESR1 (0.82) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL22336457 | 0.80 | ESR1 (0.64) | ESR1ESR2BACE1KEAP1KMT2A | |
| SCHEMBL836033 | 0.78 | CYP17A1 (0.56) | ESR1ESR2CYP17A1CYP3A4CYP19A1 | |
| SCHEMBL36454 | 0.78 | ESR1 (1.00) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL2969737 | 0.78 | ESR1 (1.00) | ESR1ESR2KDM4EALDH1A1HTR1A | |
| SCHEMBL9047858 | 0.77 | ESR1 (0.74) | ESR1ESR2KEAP1ABATCA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5032629-A | Comprising the reaction product of an polyalkylenepolyether and a polyepoxy compound; discoloration inhibition; hydraulics; shelf life | RUTGERSWERKE AG (DE) | 1991-07-16 | — | — | US | disclosed |