Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2051071 | 0.86 | ALDH1A1 (0.39) | ACHESLC9A1KIF11NFE2L2MEN1 | |
| SCHEMBL2053480 | 0.80 | CA3 (0.33) | SLC9A1CA3CA6CA5ACA9 | |
| SCHEMBL2013259 | 0.80 | GPR3 (0.39) | ACHEL3MBTL1MEN1HPGDKMT2A | |
| SCHEMBL2052904 | 0.76 | MPL (0.35) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL1491043 | 0.76 | ACHE (0.41) | ACHENFE2L2MEN1ALDH1A1KMT2A | |
| SCHEMBL5325455 | 0.74 | PTPN1 (0.40) | L3MBTL1SLC9A1S1PR2S1PR4CA3 | |
| SCHEMBL2053205 | 0.74 | ACHE (0.35) | ACHESLC9A1 | |
| SCHEMBL7049757 | 0.73 | ACHE (0.38) | ACHETDP1ALDH1A1THRB | |
| SCHEMBL2434582 | 0.73 | NFE2L2 (0.35) | NFE2L2ALDH1A1 | |
| SCHEMBL2013006 | 0.72 | ACHE (0.35) | ACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |