Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17546182 | 0.83 | KDM4E (0.46) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL30559751 | 0.78 | AOC3 (0.48) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL30559750 | 0.78 | AOC3 (0.48) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL3608256 | 0.78 | AOC3 (0.48) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL15791226 | 0.74 | AOC3 (0.45) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL7019205 | 0.74 | AOC3 (0.45) | ALDH1A1KDM4EMAPTLOXL2AOC3 | |
| SCHEMBL31725796 | 0.74 | AXL (0.56) | ALDH1A1KDM4EMAPTLOXL2NPC1 | |
| SCHEMBL3821084 | 0.73 | ATAD2 (0.50) | ALDH1A1KDM4EMAPTHRH4NPC1 | |
| SCHEMBL31725662 | 0.72 | DAO (0.45) | HRH4FLT3CYP2A6DAODDO | |
| SCHEMBL108061 | 0.69 | LOXL2 (0.64) | ALDH1A1KDM4EMAPTLOXL2AOC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9809607-B2 | Silylation of aromatic heterocycles by earth abundant transition-metal-free catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-11-07 | — | — | US | disclosed |