Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | 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 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL15856327 | 0.96 | SLC6A9 (0.35) | CA12CA1CA2CA9SLC6A9 | |
| SCHEMBL15856457 | 0.94 | CA12 (0.39) | CA12CA1CA2CA9SLC6A9 | |
| SCHEMBL15856339 | 0.94 | CA12 (0.39) | CA12CA1CA2CA9SLC6A9 | |
| SCHEMBL15856326 | 0.88 | ACLY (0.36) | SLC6A9AKR1C2ACLY | |
| SCHEMBL15856329 | 0.88 | ACLY (0.36) | SLC6A9AKR1C2ACLY | |
| SCHEMBL15856450 | 0.86 | SLC6A9 (0.37) | CA12CA1CA2CA9SLC6A9 | |
| SCHEMBL15856409 | 0.86 | HSD17B1 (0.36) | SLC6A9AKR1C3AKR1C2MAPK11MAPK14 | |
| SCHEMBL15853030 | 0.85 | PPARG (0.35) | CA12CA1CA2CA9SLC6A9 | |
| SCHEMBL15856429 | 0.85 | AKR1C3 (0.36) | CA1CA2CA9SLC6A9AKR1C3 | |
| SCHEMBL15856406 | 0.84 | PPARG (0.36) | CA12CA1CA2CA9MCL1 |
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 |