Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5244436 | 0.83 | LDHA (0.47) | LDHASIGMAR1SLC6A4HRH3PRKAB2 | |
| SCHEMBL5183896 | 0.80 | LDHA (0.52) | LDHASIGMAR1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL5243493 | 0.78 | LDHA (0.47) | LDHASIGMAR1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL5243767 | 0.78 | LDHA (0.48) | LDHASIGMAR1SLC6A4HRH3PRKAB2 | |
| SCHEMBL5240041 | 0.77 | LDHA (0.47) | LDHASIGMAR1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL5243174 | 0.77 | LDHA (0.47) | LDHASIGMAR1SLC6A4HRH3PRKAB2 | |
| SCHEMBL5244174 | 0.77 | LDHA (0.46) | LDHASIGMAR1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL5243417 | 0.77 | LDHA (0.49) | LDHASIGMAR1SLC6A4HRH3PRKAB2 | |
| SCHEMBL5242987 | 0.77 | LDHA (0.47) | LDHASIGMAR1SLC6A4HRH3PRKAB2 | |
| SCHEMBL5240950 | 0.77 | LDHA (0.43) | LDHASIGMAR1SLC6A4HRH3PRKAB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756107-A2 | ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-02-28 | — | — | EP | claimed |
| WO-2006009789-A2 | ARYL-SUBSTITUTED PIPERAZINE DERIVATIVES | NEUROGEN CORPORATION (US) | 2006-01-26 | — | — | WO | claimed |