Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL50478 | 0.91 | TAAR1 (0.60) | ALDH1A1CALM1TAAR1CYP2D6CYP1A2 | |
| SCHEMBL29642903 | 0.91 | TAAR1 (0.60) | ALDH1A1CALM1TAAR1CYP2D6CYP1A2 | |
| Methylene Chloride SCHEMBL29186228 | 0.89 | TAAR1 (0.58) | ALDH1A1CALM1TAAR1CYP2D6CYP1A2 | |
| Methane SCHEMBL27598295 | 0.89 | TAAR1 (0.58) | ALDH1A1CALM1TAAR1CYP2D6CYP1A2 | |
| Toluene SCHEMBL27970902 | 0.88 | KMT2A (0.50) | HPGDALDH1A1NPC1RAB9ATAAR1 | |
| Carbon Tetrachloride SCHEMBL27970901 | 0.85 | TAAR1 (0.55) | ALDH1A1CALM1TAAR1CYP2D6CYP1A2 | |
| SCHEMBL8993266 | 0.84 | TAAR1 (0.53) | TAAR1CYP2D6CYP1A2CYP3A4SLC6A4 | |
| Benzoyl Chloride SCHEMBL9712619 | 0.83 | CTNNB1 (0.54) | HPGDALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL1422874 | 0.81 | ALDH1A1 (0.58) | HPGDALDH1A1MAOBCALM1NPC1 | |
| SCHEMBL8604814 | 0.81 | CALM1 (0.70) | HPGDALDH1A1MAOBCALM1NPC1 |
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-116715652-A | Preparation method of key intermediate piperonylethylamine of berberine | 迪庆顺源生物有限公司 | 2023-09-08 | — | — | CN | claimed |
| 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 |