Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11070744 | 0.83 | CYP1A2 (0.52) | CYP1A2 | |
| SCHEMBL27455037 | 0.81 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL7653734 | 0.79 | CYP1A2 (0.56) | CYP1A2 | |
| SCHEMBL7654607 | 0.74 | CYP1A2 (0.50) | CYP1A2SLC6A4 | |
| SCHEMBL14394642 | 0.74 | CYP1A2 (0.50) | CYP1A2HTR2ASLC6A4 | |
| SCHEMBL27512700 | 0.73 | CYP1A2 (0.41) | CYP1A2KCNH2 | |
| SCHEMBL7648088 | 0.73 | CYP1A2 (0.48) | CYP1A2SLC6A4 | |
| SCHEMBL30537734 | 0.72 | CNR2 (0.48) | — | |
| SCHEMBL8823285 | 0.72 | CNR2 (0.48) | — | |
| Water SCHEMBL11571637 | 0.72 | HTR1A (0.47) | BCHEHTR1AOPRM1DRD3KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3111937-B1 | MEDICAMENT FOR TREATMENT OF LIVER CANCER | HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) | 2020-06-17 | — | — | EP | disclosed |