Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cytisinicline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 13/20 | 0.86 |
| ▸ | CHRNA4 known ✓ | P43681 | 13/20 | 0.86 |
| ▸ | CHRNB4 | P30926 | 10/20 | 0.86 |
| ▸ | CHRNA3 | P32297 | 10/20 | 0.86 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.86 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.86 |
| ▸ | CHRNG | P07510 | 4/20 | 0.86 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.86 |
| ▸ | CHRND | Q07001 | 4/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.86 |
| ▸ | MEN1 | O00255 | 1/20 | 0.86 |
| ▸ | LMNA | P02545 | 1/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.86 |
| ▸ | MAPT | P10636 | 1/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.86 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Cytisinicline SCHEMBL20680760 | 0.95 | CHRNB2 (0.82) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL1500421 | 0.93 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL472026 | 0.93 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL13595657 | 0.93 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL8309064 | 0.93 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL20680750 | 0.86 | CHRNB2 (0.80) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL3216961 | 0.80 | CHRNB2 (0.74) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| Cytisinicline SCHEMBL2224545 | 0.78 | CHRNB2 (0.71) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL22055654 | 0.73 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL22056362 | 0.72 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2292629-A1 | Method of isolating cytisine from biomaterial | Kallimopoulos, Thomas, Dr. (DE) | 2011-03-09 | — | — | EP | disclosed |