Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.35 |
| ▸ | FEN1 | P39748 | 3/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856551 | 0.85 | MCL1 (0.40) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL19901446 | 0.84 | AKR1C3 (0.41) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL19901480 | 0.82 | CA12 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL19901447 | 0.82 | CA12 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15852982 | 0.82 | CYP11B1 (0.40) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL19901503 | 0.79 | ACLY (0.37) | AKR1C3AKR1C2ACMSDCYP11B1CYP11B2 | |
| SCHEMBL19901459 | 0.77 | AKR1C3 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15856432 | 0.77 | MCL1 (0.40) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL13338495 | 0.74 | CA12 (0.39) | AKR1C3AKR1C2MCL1ACMSDPPARG | |
| SCHEMBL15852986 | 0.74 | PPARG (0.38) | AKR1C3AKR1C2MCL1ACMSDPPARG |
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-9905776-B2 | Pyrene-based compound and organic light-emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |