Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21986000 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL21986138 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KMT2ANPC1RAB9APOLB | |
| SCHEMBL21986133 | 0.74 | ALDH1A1 (0.43) | ALDH1A1KMT2ANPSR1TP53TSHR | |
| SCHEMBL6673813 | 0.72 | NPSR1 (0.63) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL5672791 | 0.70 | ALDH1A1 (0.50) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL17131834 | 0.70 | NPSR1 (0.61) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL9471405 | 0.70 | ALDH1A1 (0.61) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL19963117 | 0.70 | ALDH1A1 (0.61) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL8854160 | 0.70 | RAB9A (0.61) | ALDH1A1KMT2ANPSR1HTTNPC1 | |
| SCHEMBL629972 | 0.70 | NPSR1 (0.61) | ALDH1A1KMT2ANPSR1HTTNPC1 |
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 |