Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18034937 | 0.85 | MAOA (0.47) | CHRNB2CHRNA4MAOAMAOBSLC6A4 | |
| SCHEMBL18053996 | 0.79 | CHRNB2 (0.36) | CHRNB2CHRNA4 | |
| SCHEMBL28935880 | 0.78 | DRD2 (0.43) | CHRNB2CHRNA4MAOAMAOBSLC6A4 | |
| SCHEMBL16181319 | 0.77 | UHRF1 (0.35) | MAOAMAOBSLC6A4HTR3A | |
| SCHEMBL23497339 | 0.76 | CHRNB2 (0.34) | CHRNB2CHRNA4SLC6A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL30221682 | 0.76 | NOTUM (0.47) | CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL21802747 | 0.76 | NOTUM (0.47) | CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL31214791 | 0.76 | CHRNB2 (0.34) | CHRNB2CHRNA4SLC6A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL17404757 | 0.75 | NOS3 (0.50) | CHRNB2CHRNA4MAOAMAOBSLC6A4 | |
| SCHEMBL18616050 | 0.75 | MAOA (0.32) | MAOAMAOBSLC6A4HTR3A |
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-2020083377-A1 | PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2020-04-30 | — | — | WO | disclosed |