Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856413 | 1.00 | AKR1C3 (0.38) | AKR1C3AKR1C2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL15856447 | 0.95 | ESR1 (0.37) | AKR1C3AKR1C2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL15856346 | 0.95 | ESR1 (0.37) | AKR1C3AKR1C2HSD17B1HSD17B2GSTP1 | |
| SCHEMBL15856335 | 0.90 | ACLY (0.34) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15856334 | 0.90 | ACLY (0.34) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15856399 | 0.85 | TACR1 (0.35) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15856426 | 0.85 | TACR1 (0.35) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL15856444 | 0.85 | TACR1 (0.37) | AKR1C3AKR1C2PTGS2BACE1 | |
| SCHEMBL15856328 | 0.85 | PPARG (0.36) | AKR1C3AKR1C2MAPK11MAPK14SLC6A2 | |
| SCHEMBL15856406 | 0.85 | PPARG (0.36) | AKR1C3AKR1C2MAPK11MAPK14SLC6A2 |
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-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |