Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 12/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12600977 | 0.92 | HTR1A (0.48) | HTR1AADRA1BADRA1ADRD2ADRA1D | |
| SCHEMBL12600702 | 0.82 | CHRM2 (0.48) | CHRM2CHRM3HTR1AADRA1BADRA1A | |
| SCHEMBL18463363 | 0.79 | HTR1A (0.52) | HTR1AADRA1BADRA1ADRD2ADRA1D | |
| SCHEMBL8295323 | 0.77 | KDM4E (0.48) | CHRM2CHRM3HTR1AADRA1BADRA1A | |
| Dimethylamine SCHEMBL10581346 | 0.75 | HTR1A (0.45) | CHRM2CHRM3HTR1ADRD2HTR2A | |
| SCHEMBL12601433 | 0.74 | CHRM2 (0.46) | CHRM2CHRM3HTR1AADRA1BADRA1A | |
| SCHEMBL12601432 | 0.74 | SMN1; SMN2 (0.37) | CHRM2CHRM3HTR1AADRA1BADRA1A | |
| SCHEMBL1825898 | 0.74 | FAAH (0.50) | CHRM2CHRM3DRD2DRD3 | |
| SCHEMBL9359494 | 0.73 | TERT (0.37) | HTR1AADRA1BDRD2DRD3HIF1A | |
| SCHEMBL8283007 | 0.72 | CHRM2 (0.41) | CHRM2CHRM3HTR1ADRD2ALDH1A1 |
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-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |