Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1017886 | 0.72 | CYP2D6 (0.43) | CYP2D6CHRM3KCNH2HRH1CYP3A4 | |
| SCHEMBL1008632 | 0.71 | LMNA (0.42) | CYP2D6CHRM3KCNH2HRH1TSHR | |
| SCHEMBL6048472 | 0.66 | SIGMAR1 (0.58) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL13145313 | 0.66 | CHRM2 (0.35) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL28979281 | 0.65 | LMNA (0.46) | CYP2D6CHRM3HRH1CYP3A4MEN1 | |
| SCHEMBL9910958 | 0.65 | CHRM2 (0.68) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL7438216 | 0.65 | LMNA (0.55) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL10390945 | 0.65 | CHRM2 (0.61) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL7453762 | 0.64 | KIF11 (0.59) | CYP2D6CHRM2CHRM1CHRM3KCNH2 | |
| SCHEMBL2006125 | 0.64 | CHRM4 (0.56) | CYP2D6CHRM2CHRM1CHRM3KCNH2 |
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-2007117557-A2 | DIAMINOPROPANOL RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |