Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 6/20 | 0.41 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BUB1 | O43683 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | GAK | O14976 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL20180167 | 0.88 | NPC1 (0.38) | PTGS1PTGS2EGFRALKMEN1 | |
| SCHEMBL20180309 | 0.88 | ABCG2 (0.41) | EGFRALKMEN1KMT2AKDR | |
| SCHEMBL20180229 | 0.81 | MEN1 (0.40) | EGFRALKMEN1NPC1KMT2A | |
| SCHEMBL20180158 | 0.79 | EGFR (0.38) | EGFRPKMYT1ALKBUB1KDR | |
| SCHEMBL20180549 | 0.76 | EGFR (0.47) | PTGS1PTGS2EGFRMEN1KMT2A | |
| SCHEMBL20180257 | 0.72 | FBP1 (0.44) | PTGS1PTGS2EGFRMEN1KMT2A | |
| SCHEMBL20180162 | 0.72 | ACP1 (0.42) | ALKMEN1KMT2AKDR | |
| SCHEMBL22927246 | 0.72 | BRAF (0.50) | PKMYT1MEN1KMT2A | |
| SCHEMBL20180153 | 0.72 | ALK (0.41) | PTGS1PTGS2EGFRPKMYT1ALK | |
| SCHEMBL19624969 | 0.71 | ALK (0.45) | PTGS1PTGS2ALKMEN1NPC1 |
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 |