Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856409 | 0.96 | HSD17B1 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 | |
| SCHEMBL15856343 | 0.95 | ESR1 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 | |
| SCHEMBL15856348 | 0.95 | ESR1 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 | |
| SCHEMBL15856329 | 0.91 | ACLY (0.36) | AKR1C2ACLYSLC6A9 | |
| SCHEMBL15856326 | 0.89 | ACLY (0.36) | AKR1C2ACLYSLC6A9 | |
| SCHEMBL15856398 | 0.86 | SLC6A9 (0.35) | AKR1C3AKR1C2ACLYSLC6A9 | |
| SCHEMBL15856403 | 0.86 | SLC6A9 (0.35) | AKR1C3AKR1C2ACLYSLC6A9 | |
| SCHEMBL15856414 | 0.86 | AKR1C3 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 | |
| SCHEMBL15856327 | 0.86 | SLC6A9 (0.35) | AKR1C3AKR1C2ACLYSLC6A9CA1 | |
| SCHEMBL19901449 | 0.85 | AKR1C3 (0.41) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 |
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 |