Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.31 |
| ▸ | CHRNG | P07510 | 3/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.31 |
| ▸ | CHRND | Q07001 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | CHRNE | Q04844 | 1/20 | 0.31 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.31 |
| ▸ | POLA1 | P09884 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL26934727 | 0.98 | CHRNB2 (0.32) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL26934713 | 0.98 | CHRNB2 (0.32) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL1697314 | 0.93 | CHRNB2 (0.32) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24587098 | 0.74 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL26934613 | 0.74 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL14721090 | 0.74 | CHRNB2 (0.31) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL26935204 | 0.74 | — | — | |
| SCHEMBL14720999 | 0.74 | — | — | |
| SCHEMBL14721229 | 0.72 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24586204 | 0.71 | CHRNB2 (0.32) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-2013026852-A2 | DERIVATIVES OF MECAMYLAMINE | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) | 2013-02-28 | — | — | WO | disclosed |