Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 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 | |
|---|---|---|---|---|
| SCHEMBL28611975 | 0.95 | GPR84 (0.40) | HTR2AHRH1CHRM1AKR1A1CHRM3 | |
| SCHEMBL11055191 | 0.91 | CA2 (0.48) | HTR2AHRH1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28616559 | 0.90 | HTR2A (0.40) | HTR2AHRH1CHRM1AKR1A1CHRM3 | |
| SCHEMBL31475567 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 | |
| SCHEMBL9150539 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 | |
| SCHEMBL31475564 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 | |
| SCHEMBL31475563 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 | |
| SCHEMBL7281760 | 0.87 | CPB2 (0.42) | NOD1SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL30697192 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 | |
| SCHEMBL27926625 | 0.87 | GPR84 (0.53) | CA2NOD1GPR84FFAR1SLC1A2 |
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-113185422-A | Preparation method of tetra-ester type gemini quaternary ammonium salt leather sterilization mildew inhibitor | 四川大学 | 2021-07-30 | — | — | CN | disclosed |