Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | PPARA | Q07869 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4855136 | 1.00 | CHRM1 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL9842167 | 0.86 | GPR84 (0.44) | CA2MAPK1SLC1A2SLC1A1GRIK1 | |
| SCHEMBL7939954 | 0.85 | CA2 (0.32) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL16667090 | 0.85 | — | — | |
| SCHEMBL16667092 | 0.85 | — | — | |
| SCHEMBL4995291 | 0.85 | SMN1; SMN2 (0.39) | PPARACA2MAPK1NPSR1 | |
| SCHEMBL3302336 | 0.85 | SMN1; SMN2 (0.39) | PPARACA2MAPK1NPSR1 | |
| SCHEMBL18291171 | 0.84 | CA2 (0.36) | CA2 | |
| SCHEMBL28234594 | 0.84 | CYP1A2 (0.39) | SLC1A3SLC1A2SLC1A1GRIK1GRIK2 | |
| SCHEMBL31689747 | 0.84 | CYP1A2 (0.39) | SLC1A3SLC1A2SLC1A1GRIK1GRIK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7446102-B2 | Antibacterial amide macrocycles IV | AICURIS GMBH & CO. KG (DE) | 2008-11-04 | — | — | US | disclosed |