Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16627710 | 0.75 | KMT2A (0.52) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL16627729 | 0.75 | HTT (0.48) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL16627727 | 0.75 | HTT (0.44) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL16627825 | 0.72 | KMT2A (0.53) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL16627592 | 0.71 | MT-CO2 (0.44) | ALDH1A1HTTNPC1RAB9AKDM4E | |
| SCHEMBL16627784 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAHPGDHSD17B10 | |
| SCHEMBL16627688 | 0.68 | MAPT (0.50) | ALDH1A1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16627616 | 0.66 | PARP1 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL16627783 | 0.65 | PARP14 (0.47) | ALDH1A1NPC1CYP2C9RAB9ASMN1; SMN2 | |
| SCHEMBL16627760 | 0.65 | CCNA2 (0.45) | ALDH1A1CYP2C9SMN1; SMN2KDM4EGAA |
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-2015050379-A1 | NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF | 광주과학기술원 | 2015-04-09 | — | — | WO | disclosed |