Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.40 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20615283 | 0.79 | ADRA2A (0.42) | EGFRPTGS1PTGS2LMNAHPGD | |
| SCHEMBL20615581 | 0.76 | CDC25B (0.45) | ALKABCG2ABCB1EGFRLMNA | |
| SCHEMBL20180123 | 0.73 | EGFR (0.45) | ABCG2EGFRPTGS1PTGS2LMNA | |
| SCHEMBL20180161 | 0.72 | PTGS1 (0.43) | ALKPKMYT1EGFRPTGS1PTGS2 | |
| SCHEMBL22214810 | 0.72 | TGFBR1 (0.44) | ABCG2ABCB1LMNAHPGDALDH1A1 | |
| SCHEMBL22214776 | 0.71 | SIRT2 (0.40) | ABCG2ABCB1LMNAHPGDALDH1A1 | |
| SCHEMBL20180548 | 0.70 | MEN1 (0.43) | ABCG2ABCB1ABCC1LMNAHPGD | |
| SCHEMBL20180146 | 0.69 | ABCG2 (0.38) | ALKABCG2ABCB1EGFRABCC1 | |
| SCHEMBL4357891 | 0.68 | EGFR (0.58) | ABCG2ABCB1EGFR | |
| SCHEMBL22214790 | 0.68 | TP53 (0.41) | ABCG2ABCB1LMNAHPGDALDH1A1 |
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-2018093107-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2018-05-24 | — | — | WO | disclosed |