Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.82 |
| ▸ | HTR1A | P08908 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | CNR2 | P34972 | 1/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6932960 | 1.00 | PTGS2 (0.82) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL8879886 | 0.97 | PTGS2 (0.87) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL7618152 | 0.93 | PTGS2 (0.79) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL7618146 | 0.93 | PTGS2 (0.79) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL4813999 | 0.92 | PTGS2 (0.69) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL4814007 | 0.92 | PTGS2 (0.69) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL9235971 | 0.86 | PTGS2 (0.74) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL13813542 | 0.84 | PTGS2 (1.00) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL12742120 | 0.84 | PTGS2 (0.91) | PTGS2HTR1APKMPTGS1GLO1 | |
| SCHEMBL19749125 | 0.83 | PTGS2 (0.89) | PTGS2HTR1APKMPTGS1GLO1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE43632-E1 | 1,3-propane diol esters and ethers and methods for their use in drug delivery | SCARISTA, LTD. (GB) | 2012-09-04 | — | — | US | disclosed |
| US-6555700-B1 | Bioactives (drugs, nutrients) in a form in which they are lipophilic so that they can pass lipid barriers (membranes, skin etc.) in the body readily; glycerides of esterified, aminated or etherified bioactives; side effect reduction | SCOTIA HOLDINGS PLC (GB) | 2003-04-29 | — | — | US | disclosed |
| EP-0823889-B1 | 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS | SCARISTA LTD (GB) | 2002-09-18 | — | — | EP | disclosed |
| EP-0823889-A1 | 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS | SCOTIA HOLDINGS PLC (GB) | 1998-02-18 | — | — | EP | disclosed |
| WO-1996034846-A1 | 1,3-PROPANE DIOL DERIVATIVES AS BIOACTIVE COMPOUNDS | SCOTIA HOLDINGS PLC (GB) | 1996-11-07 | — | — | WO | disclosed |