Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368147 | 1.00 | CYP2B6 (0.43) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL7364430 | 0.83 | CHRM3 (0.39) | CHRM3CHRM2CHRM1SIGMAR1LTA4H | |
| SCHEMBL2392136 | 0.78 | CYP2B6 (0.59) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL3760488 | 0.77 | CHRM3 (0.45) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL19296941 | 0.76 | CYP2B6 (0.63) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL2491599 | 0.76 | CYP2B6 (0.63) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL4391647 | 0.75 | ALDH1A1 (0.49) | CYP2B6CHRM3TSHRATML3MBTL1 | |
| SCHEMBL16226840 | 0.75 | CYP2B6 (0.41) | CYP2B6CHRM3CHRM2CHRM1ATM | |
| SCHEMBL6028844 | 0.74 | CHRM3 (0.43) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 | |
| SCHEMBL27753492 | 0.73 | CYP2B6 (0.54) | CYP2B6CHRM3CHRM2CHRM1CYP2D6 |
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-1998042656-A1 | NOVEL COMPOUNDS | CYTEL CORPORATION (US) | 1998-10-01 | — | — | WO | disclosed |