Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.77 |
| ▸ | CNR2 | P34972 | 2/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | FTH1 | P02794 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24176161 | 1.00 | CYP3A4 (0.77) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL11307470 | 1.00 | CYP3A4 (0.77) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL29978558 | 1.00 | CYP3A4 (0.77) | CYP3A4CNR2PPARAMEN1KMT2A | |
| Isokobusone SCHEMBL30105485 | 0.87 | CYP3A4 (1.00) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL24199642 | 0.80 | CYP3A4 (0.52) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL18059877 | 0.78 | CYP3A4 (0.55) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL15588779 | 0.78 | CYP3A4 (0.55) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL24176578 | 0.78 | CYP3A4 (0.63) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL20608600 | 0.78 | CYP3A4 (0.63) | CYP3A4CNR2PPARAMEN1KMT2A | |
| SCHEMBL20608599 | 0.78 | CYP3A4 (0.63) | CYP3A4CNR2PPARAMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115282246-A | Traditional Chinese medicine composition for inhibiting helicobacter pylori and preparation method thereof | 福建中益制药有限公司 | 2022-11-04 | — | — | CN | disclosed |
| US-20220000157-A1 | MOUTH-COATING FEEL ENHANCER | AJINOMOTO CO., INC. (JP) | 2022-01-06 | — | — | US | disclosed |