Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.69 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4813999 | 1.00 | PTGS2 (0.69) | PTGS2CNR1CNR2HTR1APKM | |
| SCHEMBL6932955 | 0.92 | PTGS2 (0.82) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL6932960 | 0.92 | PTGS2 (0.82) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL8879886 | 0.89 | PTGS2 (0.87) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL7618146 | 0.85 | PTGS2 (0.79) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL7618152 | 0.85 | PTGS2 (0.79) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL9235971 | 0.78 | PTGS2 (0.74) | PTGS2CNR2HTR1APKMPTGS1 | |
| SCHEMBL5797719 | 0.76 | HIF1A (0.80) | PTGS2CNR1CNR2HTR1APKM | |
| SCHEMBL29386464 | 0.76 | HIF1A (0.80) | PTGS2CNR1CNR2HTR1APKM | |
| SCHEMBL6714709 | 0.76 | PTGS2 (0.90) | PTGS2PTGS1 |
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-RE40546-E1 | 1,3-Propane diol esters and ethers and methods for their use in drug delivery | SCARISTA, LTD. (GB) | 2008-10-21 | — | — | US | disclosed |
| US-RE40480-E1 | 1,3-Propane diol esters and ethers and methods for their use in drug delivery | SCARISTA LIMITED (GB) | 2008-09-02 | — | — | US | disclosed |