Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | GSTK1 | Q9Y2Q3 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.46 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.46 |
| ▸ | GLO1 | Q04760 | 4/20 | 0.44 |
| ▸ | GRM8 | O00222 | 1/20 | 0.37 |
| ▸ | GRM6 | O15303 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448659 | 0.92 | PTGS1 (0.44) | PTGS1GSTK1DPP4DPP8DPP9 | |
| SCHEMBL14236615 | 0.85 | PTGS1 (0.67) | PTGS1GSTK1GLO1GRM8GRM6 | |
| SCHEMBL420277 | 0.85 | PTGS1 (0.67) | PTGS1GSTK1GLO1GRM8GRM6 | |
| SCHEMBL2017370 | 0.85 | PTGS1 (0.67) | PTGS1GSTK1GLO1GRM8GRM6 | |
| SCHEMBL18009307 | 0.85 | PTGS1 (0.67) | PTGS1GSTK1GLO1GRM8GRM6 | |
| Hydrochloric Acid SCHEMBL31197175 | 0.84 | PTGS1 (0.65) | PTGS1GSTK1GLO1 | |
| SCHEMBL173099 | 0.83 | PTGS1 (0.55) | PTGS1GSTK1DPP4DPP8DPP9 | |
| SCHEMBL29384215 | 0.83 | PTGS1 (0.55) | PTGS1GSTK1DPP4DPP8DPP9 | |
| SCHEMBL30712618 | 0.82 | DPP4 (0.51) | PTGS1GSTK1DPP4DPP8DPP9 | |
| SCHEMBL13886471 | 0.82 | PTGS1 (0.54) | PTGS1GSTK1DPP4DPP8DPP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0536231-A1 | A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF. | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-04-14 | — | — | EP | disclosed |
| WO-1992000320-A1 | A PROCESS FOR THE PREPARATION OF GLUTATHIONE S-ACYL DERIVATIVES, COMPOUNDS OBTAINED FROM SAID PROCESS AND AN INTERMEDIATE USEFUL FOR THE PREPARATION THEREOF | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-01-09 | — | — | WO | disclosed |