Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.53 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 4/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.35 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3053814 | 0.84 | TRPV1 (0.70) | TRPV1TPMTGSK3BCA2CA1 | |
| SCHEMBL29137293 | 0.79 | CES1 (0.54) | GSK3BCA2CA1CES1HDAC1 | |
| SCHEMBL29137235 | 0.77 | CES2 (0.64) | TRPV1GSK3BCES1CES2PTPN1 | |
| SCHEMBL29137247 | 0.77 | CA2 (0.64) | GSK3BCA2CES1HDAC1HDAC6 | |
| SCHEMBL29137350 | 0.77 | CES1 (0.52) | GSK3BCA2CA1CES1CES2 | |
| SCHEMBL1743416 | 0.76 | CES1 (0.70) | GSK3BCA2CA1CES1MLYCD | |
| SCHEMBL24354428 | 0.74 | TPMT (0.52) | TRPV1TPMTGSK3BCA2CA1 | |
| SCHEMBL12188737 | 0.73 | TPMT (0.50) | TRPV1TPMTGSK3BCA2CA1 | |
| SCHEMBL29270175 | 0.72 | TRPV1 (0.45) | TRPV1TPMTGSK3BCA2CA1 | |
| SCHEMBL22116187 | 0.72 | CES2 (0.57) | GSK3BCA2CA1CES1HDAC1 |
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-117326923-A | Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof | 上海应用技术大学 | 2024-01-02 | — | — | CN | disclosed |