Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.48 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | CASP5 | P51878 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5621943 | 0.98 | CHRNB2 (0.44) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5620177 | 0.87 | CHRNB2 (0.44) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5621961 | 0.86 | CHRNB2 (0.43) | CHRNB2CHRNA4PIM1CHRNA1CHRNA7 | |
| SCHEMBL5620211 | 0.84 | CHRNB2 (0.41) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5622573 | 0.82 | HTR3A (0.42) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5620821 | 0.82 | PARP1 (0.50) | CHRNB2CHRNA4 | |
| SCHEMBL5621910 | 0.81 | HTR3A (0.48) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5621369 | 0.81 | CHRM2 (0.41) | CHRNB2CHRNA4PIM1ITGB3ITGA2B | |
| SCHEMBL5621940 | 0.79 | PARP1 (0.52) | CHRNB2CHRNA4 | |
| SCHEMBL5621393 | 0.79 | PARP1 (0.46) | CHRNB2CHRNA4JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6448271-B1 | SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-10 | — | — | US | disclosed |