Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21986133 | 0.80 | ALDH1A1 (0.43) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL13809310 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL21986134 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL21986113 | 0.71 | MAPK1 (0.46) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL11705684 | 0.69 | MLYCD (0.42) | ALDH1A1MLYCDLMNASMN1; SMN2KDM4E | |
| SCHEMBL5899291 | 0.68 | MMP14 (0.51) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL21985769 | 0.68 | MAPK1 (0.46) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| SCHEMBL103850 | 0.67 | ALDH1A1 (1.00) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL27473794 | 0.67 | MMP14 (0.50) | ALDH1A1MAPK1TP53HSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL4208177 | 0.65 | ALDH1A1 (0.95) | ALDH1A1MAPK1TP53HSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3395804-B1 | NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT | UNIV GACHON IND ACAD COOP FOUND (KR) | 2020-05-13 | — | — | EP | disclosed |