Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | GPR6 | P46095 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | GPR183 | P32249 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7013674 | 0.75 | HRH2 (0.58) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL7013678 | 0.75 | HRH2 (0.58) | PDK1PDK2PDK3PDK4EPHX2 | |
| Trifluoroacetic Acid SCHEMBL7718799 | 0.72 | GPR6 (0.51) | PDK1PDK2PDK3PDK4EPHX2 | |
| Trifluoroacetic Acid SCHEMBL7718796 | 0.72 | GPR6 (0.51) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL30429836 | 0.71 | PDK1 (0.59) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL31387924 | 0.69 | HPGD (0.68) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL31387922 | 0.69 | HPGD (0.68) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL7006942 | 0.69 | HRH2 (0.52) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL7006944 | 0.69 | HRH2 (0.52) | PDK1PDK2PDK3PDK4EPHX2 | |
| SCHEMBL1499264 | 0.69 | CTSC (0.46) | KCNH2 |
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 |