Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | TOP1 | P11387 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4501353 | 0.86 | ALDH1A1 (0.52) | ALDH1A1TOP1CYP3A4NPC1KDM4E | |
| Ammonia Solution, Strong SCHEMBL27392709 | 0.84 | ACHE (0.50) | ALDH1A1KDM4EPOLBRAB9ATSHR | |
| Quinoline SCHEMBL27594824 | 0.82 | ALDH1A1 (0.90) | ALDH1A1TOP1CYP3A4NPC1KDM4E | |
| Triphenylene SCHEMBL28084439 | 0.80 | ALDH1A1 (0.85) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| Quinoline SCHEMBL2790221 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| Quinoline SCHEMBL5714730 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| Quinoline SCHEMBL137291 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| Quinoline SCHEMBL29558745 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| Quinoline SCHEMBL483565 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB | |
| SCHEMBL3189055 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4NPC1KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-105899948-A | Method of detecting plasmodium infection | 联邦科学技术研究组织 | 2016-08-24 | — | — | CN | disclosed |