Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | ANTXR2 | P58335 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 10/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | GLA | P06280 | 9/20 | 0.40 |
| ▸ | GAA | P10253 | 9/20 | 0.40 |
| ▸ | CASP1 | P29466 | 4/20 | 0.40 |
| ▸ | CASP7 | P55210 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL13494174 | 0.80 | MAOB (0.57) | ESR1ESR2HPGDKDM4EALDH1A1 | |
| SCHEMBL23458249 | 0.74 | GPR35 (0.39) | ESR1ESR2HPGDKDM4EALDH1A1 | |
| SCHEMBL8171798 | 0.74 | GPR35 (0.58) | HSD17B3ANTXR2HPGDKDM4EALDH1A1 | |
| SCHEMBL12038469 | 0.73 | MAOB (0.42) | ESR1ESR2HPGDKDM4EALDH1A1 | |
| SCHEMBL17942935 | 0.71 | HSD17B3 (0.56) | HSD17B3HPGDKDM4EALDH1A1GLA | |
| SCHEMBL29270317 | 0.70 | ADORA1 (0.57) | ESR1ESR2HSD17B3ANTXR2HPGD | |
| SCHEMBL17696461 | 0.70 | HSD17B3 (0.42) | ESR1ESR2HSD17B3ANTXR2HPGD | |
| SCHEMBL17942936 | 0.70 | KDM4E (0.42) | ANTXR2HPGDKDM4EALDH1A1GLA | |
| SCHEMBL17791885 | 0.69 | GPR35 (0.47) | ESR1ESR2HSD17B3ANTXR2KDM4E | |
| SCHEMBL10794144 | 0.67 | MAOA (0.63) | HSD17B3ANTXR2MEN1KMT2AUSP2 |
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-2021110834-A2 | COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING | ETH ZURICH (CH) | 2021-06-10 | — | — | WO | disclosed |