Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | EDNRA | P25101 | 3/20 | 0.59 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | MGLL | Q99685 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL27969666 | 1.00 | CYP3A4 (0.62) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL7993756 | 0.81 | ACE (0.53) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL31171631 | 0.81 | ACE (0.58) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL31171638 | 0.81 | ACE (0.58) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL31053868 | 0.80 | CYP3A4 (0.77) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL1171492 | 0.80 | CYP3A4 (0.77) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL786608 | 0.80 | CYP3A4 (0.53) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL7990089 | 0.79 | EDNRA (0.60) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL28867473 | 0.77 | CYP3A4 (0.53) | CYP3A4EDNRAFAAHMGLLALDH1A1 | |
| SCHEMBL306160 | 0.77 | CYP3A4 (1.00) | CYP3A4FAAHMGLLALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103923056-B | The synthetic method of Heliotropin | CHENGDU JIANZHONG FLAVORS & FRAGRANCES CO., LTD. (CN) | 2016-05-25 | — | — | CN | claimed |
| CN-103923056-B | The synthetic method of Heliotropin | CHENGDU JIANZHONG FLAVORS & FRAGRANCES CO., LTD. (CN) | 2016-05-25 | — | — | CN | disclosed |
| CN-103923056-B | The synthetic method of Heliotropin | CHENGDU JIANZHONG FLAVORS & FRAGRANCES CO., LTD. (CN) | 2016-05-25 | — | — | CN | disclosed |
| CN-103923056-A | Synthetic method of 3, 4-methylene dioxybenzaldehyde | CHENGDU JIANZHONG FLAVORS & FRAGRANCES CO LTD | 2014-07-16 | — | — | CN | disclosed |