Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27565138 | 0.93 | FNTA (0.42) | LMNANQO2ESR1ESR2FNTA | |
| SCHEMBL6784267 | 0.91 | NQO2 (0.49) | LMNANQO2ESR1ESR2MEN1 | |
| SCHEMBL6784264 | 0.91 | NQO2 (0.49) | LMNANQO2ESR1ESR2MEN1 | |
| SCHEMBL9166138 | 0.89 | TDP1 (0.43) | CES2MEN1MAPTKMT2ARAB9A | |
| SCHEMBL9166134 | 0.89 | TDP1 (0.43) | CES2MEN1MAPTKMT2ARAB9A | |
| SCHEMBL27729027 | 0.85 | L3MBTL1 (0.49) | CES2MEN1MAPTKMT2ARAB9A | |
| SCHEMBL28223848 | 0.85 | GPR52 (0.44) | LMNACES2MEN1MAPTKMT2A | |
| SCHEMBL27729121 | 0.83 | LOXL2 (0.45) | LMNACYP1A2CYP2C19HDAC6MAOB | |
| SCHEMBL27833892 | 0.83 | NPC1 (0.50) | NQO2ESR1ESR2MEN1MAPT | |
| SCHEMBL27762421 | 0.83 | NPC1 (0.50) | NQO2ESR1ESR2MEN1MAPT |
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 |