Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 13/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL23936680 | 0.95 | PDK2 (0.42) | PDK2ALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL23936815 | 0.95 | PDK2 (0.42) | PDK2ALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL23936813 | 0.94 | PDK2 (0.39) | PDK2ALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL23936604 | 0.94 | PDK2 (0.41) | PDK2L3MBTL1TDP1MAPTMEN1 | |
| SCHEMBL23936629 | 0.92 | PDK2 (0.46) | PDK2ALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL23936631 | 0.92 | PDK2 (0.40) | PDK2L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL23936601 | 0.92 | PDK2 (0.40) | PDK2L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL23936630 | 0.92 | PDK2 (0.40) | PDK2L3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL23936682 | 0.90 | PDK2 (0.40) | PDK2ALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL23936812 | 0.89 | PDK2 (0.38) | PDK2 |
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-20210328150-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE | DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) | 2021-10-21 | — | — | US | disclosed |