Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL17470322 | 0.98 | ESR1 (0.40) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL21224010 | 0.93 | ESR2 (0.42) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL20707502 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL20938575 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL16158231 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL23894599 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL21710515 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL24153966 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL24412900 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 | |
| SCHEMBL22039195 | 0.93 | ESR1 (0.44) | ESR1ESR2GSTP1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160163982-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-09 | — | — | US | disclosed |
| US-20160163982-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-06-09 | — | — | US | disclosed |