Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 10/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | 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 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL13076379 | 0.93 | GRM5 (0.45) | GRM5DGAT1CNR2CHRNB2CHRNA4 | |
| SCHEMBL13076244 | 0.91 | NPC1 (0.43) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL13076236 | 0.91 | NPC1 (0.45) | GRM5DGAT1NPC1ALDH1A1TP53 | |
| SCHEMBL3796009 | 0.88 | PTGES (0.44) | GRM5DGAT1CNR2CHRNB2CHRNA4 | |
| SCHEMBL3803620 | 0.82 | PTGES (0.43) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL3797930 | 0.80 | PTGES (0.46) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL3795318 | 0.79 | PTGES (0.45) | GRM5DGAT1CNR2NPC1ALDH1A1 | |
| SCHEMBL13076233 | 0.79 | RAB9A (0.43) | GRM5NPC1ALDH1A1TP53MAPK1 | |
| SCHEMBL13076381 | 0.79 | HSD11B1 (0.34) | GRM5CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL13076382 | 0.78 | HTT (0.42) | CHRNB2CHRNA4NPC1ALDH1A1MAPK1 |
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 1 patent. 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 | disclosed |