Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6695667 | 0.84 | THRB (0.46) | HTR2AADRA2BSLC6A2SLC6A4ADRA1A | |
| SCHEMBL12426593 | 0.84 | THRB (0.46) | HTR2AADRA2BSLC6A2SLC6A4ADRA1A | |
| SCHEMBL12386523 | 0.81 | THRB (0.44) | HTR2AADRA2BSLC6A2SLC6A4ADRA1A | |
| SCHEMBL5564359 | 0.81 | ADRA2B (0.55) | HTR2AADRA2BADRA2CSLC6A2SLC6A4 | |
| SCHEMBL12319469 | 0.78 | ALDH1A1 (0.53) | HTR2AADRA2BSLC6A2SLC6A4ADRA1A | |
| SCHEMBL6692689 | 0.78 | ALDH1A1 (0.53) | HTR2AADRA2BSLC6A2SLC6A4ADRA1A | |
| SCHEMBL13802349 | 0.77 | THRB (0.35) | SLC6A2SLC6A4SLC6A3KCNH2THRB | |
| SCHEMBL13802352 | 0.77 | THRB (0.35) | SLC6A2SLC6A4SLC6A3KCNH2THRB | |
| SCHEMBL615515 | 0.77 | ADRA2B (0.58) | HTR2AADRA2BADRA2CSLC6A2SLC6A4 | |
| SCHEMBL30062527 | 0.76 | ALDH1A1 (0.61) | HTR2AADRA2BADRA2CSLC6A2SLC6A4 |
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-2004082565-A2 | ASYMMETRIC CYCLIZATION IN THE PRESENCE OF SUBSTITUTED PSEUDOPHEDRINES | H. LUNDBECK A/S (DK) | 2004-09-30 | — | — | WO | disclosed |