Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 13/20 | 0.61 |
| ▸ | CHRNA3 | P32297 | 13/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 13/20 | 0.61 |
| ▸ | CHRNB3 | Q05901 | 11/20 | 0.61 |
| ▸ | CHRNA6 | Q15825 | 11/20 | 0.61 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19456202 | 0.78 | — | — | |
| SCHEMBL1978267 | 0.76 | CHRNB2 (1.00) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL23240591 | 0.73 | CHRNB2 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL19456076 | 0.73 | CHRNB2 (0.50) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL13993929 | 0.71 | CHRNB2 (0.60) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21644015 | 0.71 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL19988062 | 0.71 | CHRNB2 (0.60) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21644012 | 0.71 | CHRNB2 (0.48) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL13435466 | 0.71 | CHRNB2 (0.60) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL24802897 | 0.71 | CHRNB2 (0.60) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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-2018114677-A2 | [(PHENYLSULFONYL)OCTAHYDRO-EPIMINOISOINDOL-YL](1H-1,2,3-TRIAZOL-5-YL)METHANONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |