Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | STS | P08842 | 8/20 | 0.62 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | ESR1 | P03372 | 2/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.62 |
| ▸ | SHBG | P04278 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | PGR | P06401 | 1/20 | 0.62 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.62 |
| ▸ | AR | P10275 | 1/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL12715347 | 0.92 | STS (0.67) | KDM4EALDH1A1STSHSD17B1LMNA | |
| Estrone SCHEMBL11143016 | 0.86 | HSD17B1 (0.81) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL16148802 | 0.86 | STS (0.70) | KDM4EALDH1A1STSHSD17B1LMNA | |
| Estrone SCHEMBL26659903 | 0.86 | STS (0.74) | KDM4EALDH1A1STSHSD17B1LMNA | |
| Estrone SCHEMBL8903505 | 0.84 | HSD17B1 (0.85) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL15625964 | 0.84 | CA1 (0.72) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL13863240 | 0.83 | STS (0.64) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL31321075 | 0.83 | CA1 (0.70) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL13216961 | 0.82 | STS (0.74) | KDM4EALDH1A1STSHSD17B1LMNA | |
| SCHEMBL10080238 | 0.82 | STS (0.74) | KDM4EALDH1A1STSHSD17B1LMNA |
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-2018010932-A1 | CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2018-01-18 | — | — | WO | disclosed |