Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 6/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.59 |
| ▸ | DRD1 | P21728 | 3/20 | 0.59 |
| ▸ | DRD3 | P35462 | 3/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.59 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HRH1 | P35367 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 4/20 | 0.58 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13258519 | 1.00 | CHRM1 (0.59) | CHRM1CHRM2CYP2D6ADRA2ADRD1 | |
| SCHEMBL27628069 | 0.84 | CYP2D6 (0.61) | CHRM1CHRM2CYP2D6ADRA2ADRD1 | |
| SCHEMBL12068491 | 0.83 | CYP1A2 (0.55) | CYP2D6KCNH2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL8872239 | 0.83 | CYP1A2 (0.55) | CYP2D6KCNH2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL15286386 | 0.83 | ALDH1A1 (0.41) | CHRM1CHRM2CYP2D6ADRA2ADRD1 | |
| SCHEMBL3935389 | 0.83 | KDM4E (0.44) | CHRM1CHRM2CYP2D6ADRA2ADRD1 | |
| SCHEMBL986928 | 0.82 | CYP2D6 (0.59) | CHRM1CHRM2CYP2D6ADRA2ADRD1 | |
| SCHEMBL13293355 | 0.81 | CYP1A2 (0.57) | CYP2D6KCNH2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL8097811 | 0.81 | CYP1A2 (0.57) | CYP2D6KCNH2TSHRCYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7459908 | 0.81 | LMNA (0.49) | CHRM1CHRM2CYP2D6ADRA2ADRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011150243-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2010065668-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | WO | disclosed |