Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 14/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29103296 | 0.81 | NR5A1 (0.46) | NR5A1LTA4HFAAH | |
| SCHEMBL28710973 | 0.78 | RARB (0.39) | NR5A1LTA4HKDM4EALDH1A1HTT | |
| SCHEMBL9510163 | 0.71 | NR5A1 (0.42) | NR5A1LTA4HKDM4EALDH1A1HTT | |
| SCHEMBL9512534 | 0.70 | CNR2 (0.42) | NR5A1LTA4HKDM4EALDH1A1HTT | |
| SCHEMBL9510227 | 0.70 | NR5A1 (0.41) | NR5A1LTA4HKDM4EALDH1A1HTT | |
| SCHEMBL9512426 | 0.69 | CNR2 (0.40) | NR5A1LTA4HKDM4EUSP2ALDH1A1 | |
| SCHEMBL9512263 | 0.69 | ACACB (0.42) | LTA4HFAAH | |
| SCHEMBL3935979 | 0.68 | LTA4H (0.47) | NR5A1LTA4HKDM4EALDH1A1GAA | |
| SCHEMBL28334557 | 0.68 | KDM4E (0.43) | NR5A1LTA4HFAAHKDM4EMAPT | |
| SCHEMBL9512289 | 0.68 | ACACB (0.39) | NR5A1LTA4HKDM4EALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-110437846-B | Fluorine substituted benzoxazole liquid crystal compound containing acetylene bond and preparation method thereof | 陕西师范大学 | 2022-02-25 | — | — | CN | disclosed |