Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | NQO2 | P16083 | 2/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6784264 | 0.87 | NQO2 (0.49) | MAPTRAB9ANPC1NQO2ESR2 | |
| SCHEMBL6784267 | 0.87 | NQO2 (0.49) | MAPTRAB9ANPC1NQO2ESR2 | |
| SCHEMBL28684868 | 0.87 | HPGD (0.51) | MAPTRAB9ASMN1; SMN2NPC1NQO2 | |
| SCHEMBL28154002 | 0.85 | NR1H4 (0.54) | MAPTRAB9ASMN1; SMN2NPC1NQO2 | |
| SCHEMBL27833892 | 0.80 | NPC1 (0.50) | MAPTRAB9ASMN1; SMN2NPC1NQO2 | |
| SCHEMBL28264296 | 0.80 | ABAT (0.52) | NQO2ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL27762421 | 0.80 | NPC1 (0.50) | MAPTRAB9ASMN1; SMN2NPC1NQO2 | |
| SCHEMBL28269617 | 0.80 | APLNR (0.46) | NQO2ALDH1A1ESR2XDHCYP3A4 | |
| SCHEMBL27565138 | 0.80 | FNTA (0.42) | MAPTRAB9ANQO2ALDH1A1ESR2 | |
| SCHEMBL28263236 | 0.80 | LMNA (0.45) | MAPTRAB9ANQO2ESR2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293616-A | One kind chalcones containing cumarin derivative, preparation method and application | 贵州大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-109251186-A | A kind of chalcones derivative, preparation method and application containing benzothiazole | 贵州大学 | 2019-01-22 | — | — | CN | disclosed |
| CN-109134399-A | A kind of Isosorbide-5-Nitrae containing benzothiazole-pentadiene -3- ketones derivant, preparation method and application | 贵州大学 | 2019-01-04 | — | — | CN | disclosed |