Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GCLC | P48506 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5761 | 1.00 | PMP22 (0.35) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL16782030 | 0.80 | PMP22 (0.42) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL28224631 | 0.80 | HDAC1 (0.48) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL890709 | 0.79 | CHRM1 (0.40) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL7241006 | 0.79 | CHRM1 (0.35) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL16588883 | 0.78 | PMP22 (0.37) | PMP22GCLCSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL5022363 | 0.77 | CHRM1 (0.39) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL5014288 | 0.77 | CHRM1 (0.39) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL5013300 | 0.77 | CHRM1 (0.39) | PMP22CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1634572 | 0.77 | MMP2 (0.35) | PMP22CHRM1AKR1A1CHRM3HTR2A |
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-116217426-A | Method for synthesizing S-fluorobutyramide from (R) -2-sulfonyl butyrate alkyl ester | 山东省农药科学研究院 | 2023-06-06 | — | — | CN | disclosed |