Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8285802 | 0.86 | REN (0.53) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL91287 | 0.85 | REN (0.55) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL7992571 | 0.85 | REN (0.53) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL1083640 | 0.84 | REN (0.54) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL8263807 | 0.84 | REN (0.60) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL8284797 | 0.83 | REN (0.51) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL2929278 | 0.83 | REN (0.51) | RENTSHRHTR1ASLC6A4KMT2A | |
| SCHEMBL8284798 | 0.83 | REN (0.51) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL78416 | 0.82 | REN (0.53) | RENTSHRHTR1ASLC6A4GRM5 | |
| SCHEMBL2934557 | 0.82 | CYP2C9 (0.52) | RENTSHRKMT2AALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1707206-A1 | Piperazine derivates for the inhibition of beta-secretase, cathepsin D, plasmepsin ll and HIV protease and for the treatment of malaria, Alzeheimer and AIDS | Speedel Experimenta AG (CH) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005037803-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-04-28 | — | — | WO | disclosed |
| WO-2005037803-A1 | ORGANIC COMPOUNDS | SPEEDEL EXPERIMENTA AG (CH) | 2005-04-28 | — | — | WO | disclosed |