Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20180161 | 0.88 | PTGS1 (0.43) | NPC1PTGS1PTGS2ALKEGFR | |
| SCHEMBL20180229 | 0.88 | MEN1 (0.40) | NPC1RAB9AALKSYKEGFR | |
| SCHEMBL20180309 | 0.81 | ABCG2 (0.41) | ALKEGFRKMT2AMEN1KDR | |
| SCHEMBL20180162 | 0.78 | ACP1 (0.42) | MAP4K4ALKMAPK14ADRA2AKMT2A | |
| SCHEMBL20180170 | 0.78 | LIPG (0.36) | MAP4K4ALKEGFRKDR | |
| SCHEMBL22829534 | 0.74 | RAD52 (0.35) | PTGS1PTGS2ALKADRA2AKMT2A | |
| SCHEMBL19624969 | 0.72 | ALK (0.45) | NPC1RAB9APTGS1PTGS2ALK | |
| SCHEMBL20180158 | 0.70 | EGFR (0.38) | ALKEGFRKDR | |
| SCHEMBL20180142 | 0.69 | ALK (0.39) | ALKSYKKMT2AMEN1ALDH1A1 | |
| SCHEMBL20180146 | 0.69 | ABCG2 (0.38) | ALKSYKEGFRKMT2AGABRA1 |
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 |