Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | RAB9A | P51151 | 7/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8779704 | 0.80 | NPC1 (0.40) | NPC1RAB9AGPR183EPHX2KDM1A | |
| SCHEMBL27286630 | 0.72 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL3545787 | 0.71 | GPR183 (0.55) | NPC1RAB9AGPR183EPHX2SMN1; SMN2 | |
| SCHEMBL5551290 | 0.70 | ALDH1A1 (0.45) | NPC1RAB9AFKBP1ASMN1; SMN2CYP2C19 | |
| SCHEMBL15345175 | 0.69 | FKBP1A (0.59) | FKBP1ASMN1; SMN2 | |
| SCHEMBL28115190 | 0.68 | NPC1 (0.47) | NPC1RAB9AEPHX2CYP2C19 | |
| SCHEMBL28309401 | 0.68 | NPC1 (0.57) | NPC1RAB9AEPHX2SMN1; SMN2CYP2C19 | |
| SCHEMBL1990363 | 0.67 | NPC1 (0.69) | NPC1RAB9AEPHX2 | |
| SCHEMBL17977068 | 0.67 | ACE (0.31) | — | |
| SCHEMBL295136 | 0.67 | NPC1 (0.69) | NPC1RAB9AEPHX2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0525197-B1 | 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS | SHIONOGI & CO (JP) | 1997-08-27 | — | — | EP | disclosed |
| US-5319100-A | Antiinflammatory agent which does not cause stomach diseases | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-06-07 | — | — | US | disclosed |
| US-5319099-A | Antiinflammatory agent which does not cause stomach diseases | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0525197-A1 | 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-02-03 | — | — | EP | disclosed |