Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 2/20 | 0.37 |
| ▸ | DHODH | Q02127 | 3/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | PARG | Q86W56 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21769584 | 0.73 | NPC1 (0.38) | DHODHNUDT1ALDH1A1KDM4EMET | |
| SCHEMBL21769611 | 0.73 | HDAC1 (0.41) | ALDH1A1KDM4EGAAHPGDNPC1 | |
| SCHEMBL13632777 | 0.71 | ALDH1A1 (0.38) | DHODHALDH1A1KDM4EGAALMNA | |
| SCHEMBL19413016 | 0.71 | PTGS2 (0.45) | ALDH1A1KDM4EGAAKMT2APTGS2 | |
| SCHEMBL21769430 | 0.66 | MAPK1 (0.50) | ALDH1A1KDM4EGAALMNAPOLB | |
| SCHEMBL13042861 | 0.64 | NPC1 (0.50) | ALDH1A1KDM4ELMNAPOLBMAPT | |
| SCHEMBL22706712 | 0.64 | KDM4E (0.44) | ALDH1A1KDM4EGAALMNAPOLB | |
| SCHEMBL13042726 | 0.64 | NPC1 (0.49) | ALDH1A1KDM4EGAALMNAPOLB | |
| SCHEMBL22708117 | 0.64 | KDM4E (0.43) | DHODHALDH1A1KDM4EGAALMNA | |
| SCHEMBL22708113 | 0.64 | KDM4E (0.43) | ALDH1A1KDM4EGAALMNAPOLB |
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-2020040434-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |