Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | LDHA | P00338 | 4/20 | 0.50 |
| ▸ | LDHB | P07195 | 4/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 3-Methylorsellinic Acid SCHEMBL963740 | 1.00 | CYP3A4 (0.61) | CYP3A4MAPTACHELDHALDHB | |
| 3-Methylorsellinic Acid SCHEMBL31741224 | 1.00 | CYP3A4 (0.61) | CYP3A4MAPTACHELDHALDHB | |
| 3-Methylorsellinic Acid SCHEMBL20912954 | 0.89 | CYP3A4 (0.51) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL8830308 | 0.86 | CYP3A4 (0.55) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL8776785 | 0.84 | CYP3A4 (0.52) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL19193899 | 0.84 | CYP3A4 (0.63) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL28669355 | 0.84 | CYP3A4 (0.57) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL23600937 | 0.84 | CYP3A4 (0.52) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL2977807 | 0.84 | CYP3A4 (0.57) | CYP3A4MAPTACHELDHALDHB | |
| SCHEMBL29434001 | 0.83 | CYP3A4 (0.67) | CYP3A4MAPTACHELDHALDHB |
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-113604448-B | Polyketide synthase Preu3 and application thereof in preparation of 2,4-dihydroxy-3,6-dimethylbenzoic acid | 中南民族大学 | 2022-11-29 | — | — | CN | disclosed |