Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL26501366 | 0.81 | PDE4B (0.30) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL18199512 | 0.81 | CHRNB2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4MAOA | |
| SCHEMBL1819554 | 0.79 | NCF1 (0.45) | MAOAMAOBHRH3HDAC1HDAC2 | |
| SCHEMBL12886555 | 0.78 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4MAOA | |
| SCHEMBL12886557 | 0.78 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4MAOA | |
| SCHEMBL96929 | 0.78 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4MAOA | |
| SCHEMBL457302 | 0.75 | — | — | |
| SCHEMBL317021 | 0.75 | — | — | |
| SCHEMBL15163838 | 0.75 | BRD4 (0.39) | — | |
| SCHEMBL16391026 | 0.75 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4MAOA |
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-2023070605-A1 | METHODS OF PREPARING 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS | TREVENA, INC. (US) | 2023-05-04 | — | — | WO | disclosed |