Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6446035 | 0.88 | HCAR2 (0.40) | HCAR2ACHEBACE1S1PR1S1PR3 | |
| SCHEMBL6448590 | 0.82 | HCAR2 (0.42) | HCAR2ACHEBACE1S1PR1S1PR3 | |
| SCHEMBL22500984 | 0.78 | TBXAS1 (0.48) | HCAR2ACHEBACE1S1PR1S1PR3 | |
| SCHEMBL6447503 | 0.78 | TBXAS1 (0.48) | HCAR2ACHEBACE1S1PR1S1PR3 | |
| SCHEMBL8470055 | 0.76 | FAAH (0.41) | HCAR2ACHEBACE1 | |
| SCHEMBL6025774 | 0.74 | HCAR2 (0.39) | HCAR2ACHEBACE1S1PR1S1PR3 | |
| SCHEMBL6449921 | 0.73 | TSHR (0.40) | HCAR2 | |
| SCHEMBL27972724 | 0.73 | TSHR (0.40) | HCAR2 | |
| SCHEMBL20798602 | 0.73 | HCAR2 (0.43) | HCAR2S1PR1S1PR3PTPN1 | |
| SCHEMBL6450323 | 0.72 | TBXAS1 (0.43) | HCAR2ACHEBACE1S1PR1S1PR3 |
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-115368331-B | Dihydro-pyrone compound and preparation method and application thereof | 复旦大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-115368331-A | Dihydropyranone compound and preparation method and application thereof | 复旦大学 | 2022-11-22 | — | — | CN | disclosed |