Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 5/20 | 0.70 |
| ▸ | ACLY | P53396 | 2/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | TOP2A | P11388 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CRYAB | P02511 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31237297 | 0.91 | HSD11B1 (0.82) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| SCHEMBL29934767 | 0.88 | HSD11B1 (0.77) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| SCHEMBL5824245 | 0.86 | HSD11B1 (0.69) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| SCHEMBL30741399 | 0.81 | HSD11B1 (0.62) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| SCHEMBL5824299 | 0.81 | HSD11B1 (0.61) | HSD11B1ACLYACACAFNTAFNTB | |
| Cycloartenone SCHEMBL29504219 | 0.81 | HSD11B1 (0.61) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| SCHEMBL5822876 | 0.79 | HSD11B1 (0.59) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| Mangiferonic Acid SCHEMBL30415919 | 0.77 | ACLY (0.70) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| Mangiferonic Acid SCHEMBL29873759 | 0.77 | ACLY (0.70) | HSD11B1ACLYACACAPTPN11MAPK1 | |
| Cycloeucalenone SCHEMBL29510991 | 0.77 | HSD11B1 (0.61) | HSD11B1ACLYACACAPTPN11 |
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-115270863-A | Mass spectrum peak annotation method based on co-expression, co-efflux and similarity of secondary mass spectrum | 南京大学 | 2022-11-01 | — | — | CN | disclosed |