Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29047161 | 0.79 | FFAR1 (0.47) | ALDH1A1AOC3HPGD | |
| SCHEMBL16509668 | 0.78 | AOC3 (0.43) | AOC3CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL28575952 | 0.76 | FFAR1 (0.44) | ALDH1A1AOC3HPGDMEN1KMT2A | |
| SCHEMBL17755164 | 0.75 | ALDH1A1 (0.50) | ALDH1A1AOC3L3MBTL1MAPTHPGD | |
| SCHEMBL23654956 | 0.73 | CYP1A2 (0.56) | ALDH1A1AOC3L3MBTL1MAPTRAB9A | |
| SCHEMBL21199897 | 0.68 | AOC3 (0.53) | AOC3L3MBTL1RAB9ANPSR1HPGD | |
| SCHEMBL6748628 | 0.66 | CA1 (0.42) | ALDH1A1AOC3L3MBTL1MAPTCYP2C19 | |
| SCHEMBL14420857 | 0.66 | SLC6A4 (0.53) | ALDH1A1CYP2C19CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL13754068 | 0.66 | MAPT (0.39) | ALDH1A1AOC3L3MBTL1MAPTRAB9A | |
| SCHEMBL10889501 | 0.65 | AOC3 (0.58) | ALDH1A1AOC3L3MBTL1CYP2C19CYP1A2 |
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-2403842-B1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2016-06-29 | — | — | EP | disclosed |
| WO-2010099786-A1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2010-09-10 | — | — | WO | disclosed |