Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL21386482 | 0.93 | PDK2 (0.44) | ALDH1A1MAPTPDK2PPARGPPARA | |
| SCHEMBL13367457 | 0.91 | PDK2 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL29407519 | 0.91 | PDK2 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10034426 | 0.91 | MCL1 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL17733388 | 0.91 | CA12 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25569223 | 0.90 | ALDH1A1 (0.38) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL17733224 | 0.90 | CDC25B (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL27012236 | 0.89 | PDK2 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31245664 | 0.89 | ALDH1A1 (0.39) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL25569016 | 0.89 | PDK2 (0.40) | CA12CA1CA2CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2816025-A1 | AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | Idemitsu Kosan Co., Ltd (JP) | 2014-12-24 | — | — | EP | disclosed |