Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | PRMT3 | O60678 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4606166 | 0.80 | CYP2D6 (0.40) | CYP2D6DPP4SMN1; SMN2NPC1HPGD | |
| SCHEMBL4605631 | 0.79 | PRMT3 (0.43) | CYP2D6PRMT3DPP4 | |
| SCHEMBL4603048 | 0.68 | KMT2A (0.42) | CYP2D6PRMT3HPGD | |
| SCHEMBL4605625 | 0.67 | PRMT3 (0.39) | CYP2D6PRMT3DPP4SMN1; SMN2SPR | |
| SCHEMBL22180974 | 0.63 | TDO2 (0.44) | CYP11B2LRRK2 | |
| SCHEMBL4604399 | 0.63 | DPP4 (0.67) | DPP4 | |
| SCHEMBL23778692 | 0.62 | GABRA2 (0.50) | CYP2D6SMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL17144250 | 0.62 | CYP2D6 (0.46) | CYP2D6PRMT3DPP4SMN1; SMN2NPC1 | |
| SCHEMBL4606161 | 0.61 | ALDH1A1 (0.41) | CYP2D6DPP4SMN1; SMN2NPC1TP53 | |
| SCHEMBL11991751 | 0.60 | HPGD (0.56) | CYP11B2SMN1; SMN2NPC1HPGDRAB9A |
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-1917001-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007017423-A2 | PHARMACEUTICAL COMPOSITION COMPRISING A DPP-IV INHIBITOR | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-15 | — | — | WO | disclosed |