Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 2/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL329300 | 0.94 | MAPT (0.66) | MAPTBCHEOPRM1DRD3DRD2 | |
| SCHEMBL172516 | 0.94 | MAPT (0.60) | MAPTBCHEOPRM1DRD3DRD2 | |
| SCHEMBL9121531 | 0.92 | KCNH2 (0.59) | MAPTBCHEOPRM1DRD3DRD2 | |
| Hydrochloric Acid SCHEMBL693073 | 0.92 | MAPT (0.63) | MAPTBCHEOPRM1DRD3DRD2 | |
| Water SCHEMBL28273899 | 0.92 | MAPT (0.63) | MAPTBCHEOPRM1DRD3DRD2 | |
| SCHEMBL9768710 | 0.92 | MAPT (0.63) | MAPTBCHEOPRM1DRD3DRD2 | |
| Bromide SCHEMBL11611692 | 0.92 | MAPT (0.63) | MAPTBCHEOPRM1DRD3DRD2 | |
| SCHEMBL9485158 | 0.90 | MAPT (0.61) | MAPTBCHEOPRM1DRD3DRD2 | |
| SCHEMBL9485143 | 0.90 | KCNH2 (0.61) | MAPTBCHEOPRM1DRD3KCNH2 | |
| Hexane SCHEMBL28156697 | 0.89 | CNR2 (0.59) | MAPTBCHEOPRM1DRD3CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5148817-A | Heterocyclic hydroxy-substituted carboxylic compound as flavor additive | PHILIP MORRIS INCORPORATED (US) | 1992-09-22 | — | — | US | disclosed |
| EP-0052969-A2 | Flavorant compounds, their pyrolysis products, and smoking and food compositions containing them | PHILIP MORRIS INCORPORATED (US) | 1982-06-02 | — | — | EP | disclosed |