Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | PRKDC | P78527 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30057312 | 0.90 | KMT2A (0.45) | ABCG2KMT2AABCC1KDM4EALDH1A1 | |
| SCHEMBL17383046 | 0.90 | KMT2A (0.45) | ABCG2KMT2AABCC1KDM4EALDH1A1 | |
| SCHEMBL15030783 | 0.88 | ABCG2 (0.60) | ABCG2KMT2AABCC1KDM4EALDH1A1 | |
| SCHEMBL15678569 | 0.86 | LOXL2 (0.50) | KMT2AKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL22337110 | 0.78 | MAOA (0.44) | KMT2AKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL3267918 | 0.77 | MAOA (0.64) | KDM4EALDH1A1HPGDMAPTHSD17B10 | |
| SCHEMBL12764548 | 0.77 | MAOA (0.61) | ABCG2KMT2AABCC1KDM4EALDH1A1 | |
| SCHEMBL9765551 | 0.77 | HPRT1 (0.44) | KMT2AKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL22337130 | 0.76 | KMT2A (0.48) | ABCG2KMT2AABCC1KDM4EALDH1A1 | |
| SCHEMBL28398726 | 0.76 | MAOA (0.66) | ABCG2ABCC1KDM4EALDH1A1CYP1A1 |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |