Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223491 | 0.95 | GCK (0.32) | GCKNPSR1PDE4BPDE4DKDM4E | |
| SCHEMBL7222958 | 0.89 | NPSR1 (0.34) | GCKNPSR1PDE4BPDE4DKDM4E | |
| SCHEMBL7223214 | 0.88 | NPSR1 (0.34) | GCKNPSR1PDE4BPDE4DKDM4E | |
| SCHEMBL7218258 | 0.87 | GCK (0.33) | GCKNPSR1PDE4BPDE4DLMNA | |
| SCHEMBL7222707 | 0.87 | GCK (0.34) | GCKNPSR1PDE4BPDE4DKDM4E | |
| SCHEMBL7217066 | 0.86 | GCK (0.40) | GCKNPSR1CHRM2CHRM4CHRM1 | |
| SCHEMBL7218419 | 0.86 | GCK (0.40) | GCKNPSR1CHRM2CHRM4CHRM1 | |
| SCHEMBL7221707 | 0.86 | GCK (0.32) | GCKNPSR1 | |
| SCHEMBL7218337 | 0.85 | GCK (0.33) | GCKNPSR1PDE4BPDE4DKDM4E | |
| SCHEMBL7223026 | 0.85 | GCK (0.33) | GCKNPSR1PDE4BPDE4DLMNA |
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-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | US | disclosed |