Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201556 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL4538620 | 0.81 | CYP2D6 (0.38) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL547819 | 0.78 | ALDH1A1 (0.44) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL29380144 | 0.78 | ALDH1A1 (0.44) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL29167170 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL1561798 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL11786019 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL29503952 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 | |
| SCHEMBL3247892 | 0.77 | ALDH1A1 (0.43) | CYP1A2CYP2C19HSD17B10CYP2C9HPGD | |
| SCHEMBL19130800 | 0.76 | CYP2C19 (0.56) | CYP1A2CYP2D6CYP2C19HSD17B10CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109748924-A | A kind of asymmetric syntheses new method of biotin chiral lactone | 浙江圣达生物药业股份有限公司 | 2019-05-14 | — | — | CN | claimed |
| CN-114560865-B | Continuous flow synthesis method of (3 aS,6 aR) -lactone | 复旦大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-114634515-A | Stereoselective synthesis method of (3aS,6aR) -lactone | 复旦大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-114560865-A | Continuous flow synthesis method of (3aS,6aR) -lactone | 复旦大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-109748924-A | A kind of asymmetric syntheses new method of biotin chiral lactone | 浙江圣达生物药业股份有限公司 | 2019-05-14 | — | — | CN | disclosed |