Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTK1 | Q9Y2Q3 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.38 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL967149 | 0.85 | ADRA1A (0.48) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL1335604 | 0.85 | ADRA1A (0.48) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL11294180 | 0.83 | ADRA1A (0.46) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL28437939 | 0.81 | — | — | |
| SCHEMBL940383 | 0.81 | ADRA1A (0.44) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL12663338 | 0.80 | GSTK1 (0.55) | GSTK1HDAC1HDAC2ANPEPENPEP | |
| SCHEMBL28968686 | 0.80 | — | — | |
| SCHEMBL5078842 | 0.79 | ADRA1A (0.42) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL28396129 | 0.79 | ADRA1A (0.42) | ADRA1AHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL5354813 | 0.79 | GPR84 (0.52) | GSTK1ADRA1AHDAC1HDAC2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008049922-A2 | A NEW PROCESS FOR THE PREPARATION OF MONTELUKAST | KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) | 2008-05-02 | — | — | WO | disclosed |