Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.69 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.69 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14304417 | 0.98 | CHRNB2 (0.67) | CHRNB2CHRNA4HRH3TDP1L3MBTL1 | |
| SCHEMBL7452098 | 0.90 | CHRNB2 (0.65) | CHRNB2CHRNA4TDP1L3MBTL1SLC6A3 | |
| SCHEMBL27345028 | 0.88 | CHRNB2 (0.63) | CHRNB2CHRNA4TDP1L3MBTL1SLC6A3 | |
| SCHEMBL4168265 | 0.88 | SLC6A3 (0.59) | SLC6A3SIGMAR1 | |
| SCHEMBL27265961 | 0.87 | SIGMAR1 (0.64) | CHRNB2CHRNA4HRH3TDP1L3MBTL1 | |
| SCHEMBL14194084 | 0.86 | HRH3 (0.55) | CHRNB2CHRNA4HRH3SIGMAR1 | |
| Bromide SCHEMBL4171916 | 0.86 | SLC6A3 (0.58) | SLC6A3SIGMAR1 | |
| SCHEMBL30761594 | 0.85 | SIGMAR1 (0.53) | CHRNB2CHRNA4HRH3CYP3A4SIGMAR1 | |
| SCHEMBL4832659 | 0.85 | SIGMAR1 (0.53) | CHRNB2CHRNA4HRH3CYP3A4SIGMAR1 | |
| SCHEMBL4169559 | 0.82 | SIGMAR1 (0.67) | SIGMAR1 |
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-2024032584-A1 | PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF | 苏州必扬医药科技有限公司 | 2024-02-15 | — | — | WO | disclosed |