Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.33 |
| ▸ | PPARA | Q07869 | 7/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.33 |
| ▸ | 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 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL18904353 | 0.96 | MCL1 (0.39) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13303885 | 0.95 | CA12 (0.37) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13304270 | 0.95 | MCL1 (0.38) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13304173 | 0.93 | MCL1 (0.35) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13304218 | 0.93 | CA12 (0.36) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13304168 | 0.92 | NTSR1 (0.36) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13345168 | 0.90 | ENPP3 (0.36) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL18904366 | 0.89 | ALDH1A1 (0.36) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL18904327 | 0.89 | MCL1 (0.37) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL13345191 | 0.89 | CA12 (0.39) | MCL1ACMSDCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010064871-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | GRACEL DISPLAY INC. (KR) | 2010-06-10 | — | — | WO | disclosed |