Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL1608752 | 1.00 | ALDH1A1 (0.77) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL28169948 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL29184281 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL27927656 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL27822014 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL27925533 | 0.94 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL29030606 | 0.94 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL27429383 | 0.94 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL6568759 | 0.91 | ALDH1A1 (0.85) | ALDH1A1NPC1RAB9APOLBCYP2A6 | |
| Quinoline SCHEMBL28077521 | 0.91 | ALDH1A1 (0.85) | ALDH1A1NPC1RAB9APOLBCYP2A6 |
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-110105373-A | One kind being based on the nanoparticle and the preparation method and application thereof of pyridine quinoxaline twin columns [n] aromatic hydrocarbons | 华南理工大学 | 2019-08-09 | — | — | CN | disclosed |