Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | MGLL | Q99685 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26646422 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL28413673 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27719962 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27837001 | 0.98 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27836883 | 0.98 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| Bromide SCHEMBL29054548 | 0.98 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27670699 | 0.98 | — | — | |
| SCHEMBL27727161 | 0.97 | — | — | |
| SCHEMBL26646540 | 0.93 | GBA2 (0.33) | — | |
| SCHEMBL29045317 | 0.93 | PTGS1 (0.34) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 |
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-115646190-A | Co-production of ultra-pure lithium salt and 6 method for Li isotope and application thereof | 中国科学院青海盐湖研究所 | 2023-01-31 | — | — | CN | disclosed |
| CN-111621791-B | Oil refining distillation tower top corrosion inhibitor capable of resisting corrosion of dilute hydrochloric acid and hydrogen sulfide | 中国石油天然气集团有限公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-111141840-B | Method for simultaneously measuring fat-soluble vitamins and carotenoids in serum | 西安交通大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-111621791-A | Oil refining distillation tower top corrosion inhibitor capable of resisting corrosion of dilute hydrochloric acid and hydrogen sulfide | 中国石油天然气集团有限公司 | 2020-09-04 | — | — | CN | disclosed |