Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856445 | 0.90 | ESR1 (0.41) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15856499 | 0.85 | ACLY (0.38) | ALOX5HSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL15856553 | 0.85 | ACLY (0.38) | ALOX5HSD17B1HSD17B2CYP11B1CYP11B2 | |
| SCHEMBL15856346 | 0.84 | ESR1 (0.37) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15856447 | 0.84 | ESR1 (0.37) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15852983 | 0.83 | ESR1 (0.38) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15856427 | 0.82 | AKR1C3 (0.38) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15856413 | 0.82 | AKR1C3 (0.38) | ESR1ESR2ALOX5HSD17B1HSD17B2 | |
| SCHEMBL15856440 | 0.82 | ACLY (0.39) | ESR1HSD17B1HSD17B2CYP1A2CYP11B1 | |
| SCHEMBL15856433 | 0.82 | GSTP1 (0.40) | ESR1ESR2HSD17B1HSD17B2HTR1D |
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 |