Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.45 |
| ▸ | HTR2C | P28335 | 6/20 | 0.45 |
| ▸ | HTR2B | P41595 | 6/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1460921 | 0.76 | NPSR1 (0.45) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL1460918 | 0.76 | NPSR1 (0.45) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL1276464 | 0.74 | CYP1A2 (0.56) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL8706112 | 0.74 | CYP1A2 (0.44) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL10454439 | 0.74 | MMP2 (0.44) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL5243364 | 0.68 | NPSR1 (0.53) | HTR2AHTR2CHTR2BSIGMAR1CYP1A2 | |
| SCHEMBL12267719 | 0.66 | NPSR1 (0.47) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL13259162 | 0.66 | KDM4E (0.51) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL19359277 | 0.66 | MMP2 (0.61) | HTR2AHTR2CHTR2BSIGMAR1DRD2 | |
| SCHEMBL19827608 | 0.65 | CYP1A2 (0.50) | HTR2AHTR2CHTR2BSIGMAR1DRD2 |
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-118388435-A | 4-Vinyl dihydrofuran-3, 3 (2H) -disulfonyl difluoro compound, and preparation and application thereof | 上海大学 | 2024-07-26 | — | — | CN | disclosed |