Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 8/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.39 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602632 | 0.79 | PTGS1 (0.43) | NOTUMARALDH1A1 | |
| SCHEMBL30527899 | 0.77 | ALDH1A1 (0.41) | CYP2A6ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL8552206 | 0.76 | PTGS1 (0.41) | NOTUMCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30527856 | 0.76 | KMT2A (0.31) | KMT2A | |
| SCHEMBL30527907 | 0.76 | CYP1A2 (0.38) | NOTUMCYP1A2ALDH1A1TSHR | |
| SCHEMBL1013615 | 0.74 | BACE1 (0.58) | BACE1KIF11NOTUMCYP1A1CYP1A2 | |
| SCHEMBL5545949 | 0.74 | ESR1 (0.42) | BACE1MEN1KMT2A | |
| SCHEMBL2167797 | 0.71 | BACE1 (0.52) | BACE1CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL10174659 | 0.71 | EGFR (0.41) | NOTUMALDH1A1MEN1KMT2A | |
| SCHEMBL16934743 | 0.70 | LSS (0.40) | BACE1KIF11OPRD1OPRK1KCNH2 |
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-113735804-B | Synthesis method of butenolide compound | 浙江大学 | 2023-07-18 | — | — | CN | disclosed |