Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL16707483 | 0.81 | TRPA1 (0.43) | ACHEFFAR4HCAR1ALDH1A1PKM | |
| SCHEMBL576170 | 0.78 | ACHE (0.40) | ACHEALDH1A1GAAESR1ESR2 | |
| SCHEMBL577112 | 0.78 | ACHE (0.40) | ACHEALDH1A1GAAESR1ESR2 | |
| SCHEMBL1958637 | 0.78 | ALDH1A1 (0.39) | ACHEPDE2AFFAR4HCAR1ALOX5AP | |
| SCHEMBL16707489 | 0.77 | ALDH1A1 (0.37) | PDE2AFFAR4HCAR1ALDH1A1PKM | |
| SCHEMBL17384528 | 0.76 | ACHE (0.39) | ACHEALDH1A1GAAKDM4EESR1 | |
| SCHEMBL900552 | 0.75 | ALOX5AP (0.32) | PDE2AALOX5APFEN1ALDH1A1PKM | |
| SCHEMBL900417 | 0.75 | SMN1; SMN2 (0.35) | ACHEPDE2AFFAR4HCAR1ALDH1A1 | |
| SCHEMBL4564482 | 0.74 | ACHE (0.37) | ACHEHCAR1ALDH1A1GAAESR1 | |
| SCHEMBL173020 | 0.71 | HSD11B1 (0.45) | ACHEALDH1A1HSD11B1L3MBTL1CHRM3 |
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-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |