Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 4/20 | 0.44 |
| ▸ | GRM5 | P41594 | 5/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | HPGDS | O60760 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3803620 | 0.94 | PTGES (0.43) | PTGESGRM5DGAT1JAK2CNR2 | |
| SCHEMBL3797930 | 0.92 | PTGES (0.46) | PTGESGRM5DGAT1JAK2CNR2 | |
| SCHEMBL3795318 | 0.91 | PTGES (0.45) | PTGESGRM5DGAT1JAK2CNR2 | |
| SCHEMBL13076261 | 0.88 | GRM5 (0.41) | PTGESGRM5DGAT1CNR2NPC1 | |
| SCHEMBL13076379 | 0.81 | GRM5 (0.45) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL3790517 | 0.80 | PTGES (0.54) | PTGESGRM5JAK2HPGDSNPC1 | |
| SCHEMBL3799989 | 0.80 | PTGES (0.44) | PTGESJAK2HPGDSNPC1RAB9A | |
| SCHEMBL13076244 | 0.79 | NPC1 (0.43) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL3802070 | 0.79 | PTGES (0.49) | PTGESJAK2HPGDSNPC1RAB9A | |
| SCHEMBL13076236 | 0.78 | NPC1 (0.45) | GRM5DGAT1NPC1ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010127152-A2 | COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS | IRM LLC (BM) | 2010-11-04 | — | — | WO | claimed |
| WO-2010127152-A2 | COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS | IRM LLC (BM) | 2010-11-04 | — | — | WO | disclosed |