Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | CASP7 | P55210 | 2/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Carbazole SCHEMBL15522486 | 0.90 | NPY5R (0.55) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| Quinoline SCHEMBL28056736 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| Quinoline SCHEMBL2535469 | 0.78 | ALDH1A1 (0.81) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL151563 | 0.78 | ALDH1A1 (0.75) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL29963695 | 0.78 | ALDH1A1 (0.75) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL29360167 | 0.78 | ALDH1A1 (0.75) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL13866623 | 0.78 | PTGER4 (0.59) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| SCHEMBL19009217 | 0.78 | PTGER4 (0.57) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| Quinoline SCHEMBL4599170 | 0.77 | ALDH1A1 (0.77) | ALDH1A1MAPTKDM4EHSD17B10NPC1 | |
| Quinoline SCHEMBL27960167 | 0.77 | ALDH1A1 (0.77) | ALDH1A1MAPTKDM4EHSD17B10NPC1 |
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-20140080026-A1 | ENERGY STORAGE AND SUPPLY SYSTEM AND DIRECT FUEL CELL BASED ON ORGANIC LIQUID HYDROGEN STORAGE MATERIALS | CHINA UNIVERSITY OF GEOSCIENCES (WUHAN) (CN) | 2014-03-20 | — | — | US | disclosed |