Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431238 | 0.85 | CYP11B1 (0.49) | NPC1RAB9AALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL14967225 | 0.83 | NPC1 (0.44) | NPC1RAB9AL3MBTL1MAOBMAOA | |
| SCHEMBL3387450 | 0.82 | NPC1 (0.58) | NPC1RAB9AL3MBTL1MAOBMAOA | |
| SCHEMBL4499163 | 0.81 | RAB9A (0.51) | NPC1RAB9AL3MBTL1MAOBMAOA | |
| SCHEMBL10557042 | 0.78 | ALDH1A1 (0.45) | RAB9AALDH1A1HTR2ASMN1; SMN2 | |
| SCHEMBL14967550 | 0.78 | POLB (0.55) | ALDH1A1 | |
| SCHEMBL4190714 | 0.77 | KDM4E (0.50) | NPC1RAB9AL3MBTL1ALDH1A1CYP2D6 | |
| SCHEMBL7994930 | 0.76 | MAPT (0.50) | NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL25381620 | 0.76 | RAB9A (0.59) | NPC1RAB9AL3MBTL1MAOBMAOA | |
| SCHEMBL14966392 | 0.74 | PKM (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2 |
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-2001077077-A1 | SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |