Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 4/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22671312 | 1.00 | ESR1 (0.38) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22670799 | 0.98 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22669767 | 0.98 | ESR1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22671751 | 0.97 | ESR1 (0.41) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22669755 | 0.96 | HSD17B1 (0.40) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22670179 | 0.95 | GPR84 (0.38) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22669740 | 0.95 | HSD17B1 (0.39) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22669759 | 0.95 | HDAC4 (0.35) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22669706 | 0.94 | HSD17B1 (0.41) | ESR1ESR2HSD17B1HSD17B2CYP1A1 | |
| SCHEMBL22671626 | 0.94 | GPR84 (0.35) | ESR1ESR2HSD17B1HSD17B2CYP1A1 |
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-20200365814-A1 | ORGANIC LIGHT-EMITTING DEVICE | LG CHEM, LTD. (KR) | 2020-11-19 | — | — | US | disclosed |