Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901480 | 1.00 | CA12 (0.39) | CA12CA1CA2CA9AKR1C3 | |
| SCHEMBL19901434 | 0.89 | PTGS1 (0.37) | AKR1C3AKR1C2CYP2C9CYP2C19ACLY | |
| SCHEMBL19901401 | 0.88 | PTGS1 (0.38) | AKR1C3AKR1C2CYP2C9CYP2C19ACLY | |
| SCHEMBL19901436 | 0.86 | AKR1C3 (0.40) | CA1CA2CA9AKR1C3AKR1C2 | |
| SCHEMBL19901407 | 0.85 | AKR1C3 (0.40) | AKR1C3AKR1C2ACMSDCYP2C9CYP2C19 | |
| SCHEMBL15856339 | 0.85 | CA12 (0.39) | CA12CA1CA2CA9AKR1C3 | |
| SCHEMBL15856457 | 0.85 | CA12 (0.39) | CA12CA1CA2CA9AKR1C3 | |
| SCHEMBL19901449 | 0.84 | AKR1C3 (0.41) | CA1CA2CA9AKR1C3AKR1C2 | |
| SCHEMBL15853058 | 0.82 | PPARG (0.38) | CA12CA1CA2CA9AKR1C3 | |
| SCHEMBL15853063 | 0.82 | PPARG (0.38) | CA12CA1CA2CA9AKR1C3 |
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 |