Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR6 | P46095 | 2/20 | 0.51 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.43 |
| ▸ | GPR183 | P32249 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7718799 | 1.00 | GPR6 (0.51) | GPR6PDK1PDK2PDK3PDK4 | |
| SCHEMBL7006944 | 0.92 | HRH2 (0.52) | PDK1PDK2PDK3PDK4HRH2 | |
| SCHEMBL7006942 | 0.92 | HRH2 (0.52) | PDK1PDK2PDK3PDK4HRH2 | |
| Trifluoroacetic Acid SCHEMBL7719722 | 0.79 | PDK1 (0.57) | GPR6PDK1PDK2PDK3PDK4 | |
| Trifluoroacetic Acid SCHEMBL5411544 | 0.77 | DPP4 (0.53) | HRH2HRH1 | |
| SCHEMBL7718802 | 0.72 | PDK1 (0.48) | GPR6PDK1PDK2PDK3PDK4 | |
| SCHEMBL30429836 | 0.72 | PDK1 (0.59) | GPR6PDK1PDK2PDK3PDK4 | |
| SCHEMBL16627285 | 0.72 | L3MBTL3 (0.60) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL1376624 | 0.71 | PDK1 (0.59) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL31387922 | 0.71 | HPGD (0.68) | PDK1PDK2PDK3PDK4EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6384222-B1 | BRADYKININ HORMONE ANTAGONIST; ANALGESIC, ANTIINFLAMMATORY; ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; ETHERIFICATION, AMIDATION | FOURNIER INDUSTRIE ET SANTE (FR) | 2002-05-07 | — | — | US | disclosed |