Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22227748 | 0.93 | HTT (0.46) | NPC1MAPK1HTTRAB9AMAT2A | |
| SCHEMBL19802291 | 0.93 | HTT (0.49) | NPC1MAPK1HTTRAB9AKDM4E | |
| SCHEMBL22025225 | 0.90 | PDE5A (0.43) | NPC1MAPK1HTTRAB9AKDM4E | |
| SCHEMBL22329510 | 0.90 | MEN1 (0.42) | RAB9AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL22330230 | 0.89 | NPC1 (0.39) | NPC1MAPK1HTTRAB9AKDM4E | |
| SCHEMBL22329535 | 0.88 | PIM3 (0.43) | RAB9AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL22329468 | 0.88 | PIM3 (0.43) | RAB9AKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL20894715 | 0.87 | NR1I3 (0.48) | RAB9AKDM4ENR1I3ALDH1A1MAPT | |
| SCHEMBL20560780 | 0.87 | KDM4E (0.45) | NPC1MAPK1HTTRAB9AKDM4E | |
| SCHEMBL24216369 | 0.87 | PIM3 (0.45) | RAB9AKDM4EALDH1A1MAPTHPGD |
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-2020235976-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 (KR) | 2020-11-26 | — | — | WO | disclosed |