Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ESRRA | P11474 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21113813 | 0.84 | SLC6A2 (0.30) | SLC6A4 | |
| SCHEMBL20000648 | 0.77 | AR (0.46) | ARMAOAMAOBHTR2ASLC6A4 | |
| SCHEMBL20031435 | 0.76 | AR (0.38) | ARHTR2ASLC6A4KCNH2PIK3CA | |
| SCHEMBL2431530 | 0.76 | CYP3A4 (0.42) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL21113821 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL20000651 | 0.71 | CYP3A4 (0.47) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL1279615 | 0.69 | CYP3A4 (0.47) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL1279614 | 0.69 | CYP3A4 (0.53) | ARHTR2ASLC6A4KCNH2 | |
| SCHEMBL15822641 | 0.68 | CYP3A4 (0.44) | ARHTR2ASLC6A4KCNH2 | |
| SCHEMBL29741799 | 0.67 | AR (0.50) | ARMAOAMAOBHTR2ASLC6A4 |
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-2018054832-A1 | NOVEL TRIAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |