Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | FAAH | O00519 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 1/20 | 0.58 |
| ▸ | NAAA | Q02083 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | EDNRA | P25101 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067208 | 0.92 | CYP3A4 (0.74) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL16320872 | 0.87 | CYP3A4 (0.76) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL30800034 | 0.85 | CYP3A4 (0.72) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL27970839 | 0.85 | CYP3A4 (0.72) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL5167970 | 0.84 | CYP3A4 (0.75) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL27803330 | 0.84 | CYP3A4 (0.70) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL306160 | 0.81 | CYP3A4 (1.00) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL29510136 | 0.81 | CYP3A4 (1.00) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL8754823 | 0.81 | CYP3A4 (0.71) | CYP3A4FAAHMGLLNAAAALDH1A1 | |
| SCHEMBL11884274 | 0.80 | CYP3A4 (0.74) | CYP3A4FAAHMGLLNAAAALDH1A1 |
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-116715652-A | Preparation method of key intermediate piperonylethylamine of berberine | 迪庆顺源生物有限公司 | 2023-09-08 | — | — | CN | disclosed |