Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL15856449 | 0.97 | AKR1C3 (0.36) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15856470 | 0.93 | PPARG (0.35) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15856456 | 0.93 | PPARG (0.35) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15856407 | 0.87 | PTGS2 (0.36) | AKR1C3AKR1C2PTGS2PTGS1ACLY | |
| SCHEMBL15856415 | 0.86 | AKR1C3 (0.37) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15853037 | 0.86 | AKR1C3 (0.35) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15856483 | 0.85 | AKR1C3 (0.38) | AKR1C3AKR1C2PTGS2MAPK11MAPK14 | |
| SCHEMBL15856424 | 0.84 | ACLY (0.34) | PTGS2PTGS1ACLY | |
| SCHEMBL15856442 | 0.84 | AKR1C3 (0.36) | AKR1C3AKR1C2MCL1ACMSDCA12 | |
| SCHEMBL15856338 | 0.84 | AKR1C3 (0.36) | AKR1C3AKR1C2MCL1ACMSDCA12 |
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 |