Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24565100 | 0.71 | ESR1 (0.44) | ESR1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL3237231 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AKDM4ELMNA | |
| SCHEMBL7875910 | 0.66 | OPRK1 (0.43) | ESR1ESR2 | |
| SCHEMBL7875907 | 0.66 | OPRK1 (0.43) | ESR1ESR2 | |
| SCHEMBL11514262 | 0.65 | ESR1 (0.63) | ESR1ALDH1A1MEN1KMT2AHSP90AA1 | |
| Phenol SCHEMBL27496048 | 0.64 | TDP1 (0.44) | ALDH1A1GAAKDM4ELMNA | |
| SCHEMBL27597244 | 0.63 | TDP1 (0.42) | ESR1ALDH1A1MEN1KMT2AHSP90AA1 | |
| SCHEMBL6881367 | 0.63 | ESR1 (0.51) | ESR1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL11874481 | 0.63 | ESR1 (0.66) | ESR1ALDH1A1MEN1KMT2AHSP90AA1 | |
| SCHEMBL3748518 | 0.63 | KDM4E (0.50) | ESR1ALDH1A1MEN1KMT2AGAA |
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 |