Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7612169 | 0.94 | AR (0.44) | GHSRMEN1KMT2AADRB3SLC40A1 | |
| SCHEMBL7610096 | 0.84 | HDAC3 (0.44) | HDAC3HDAC1HDAC2NCOR2PTGDR2 | |
| SCHEMBL7605883 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTNR1H3KDM4EMEN1 | |
| SCHEMBL7607627 | 0.82 | NR1H3 (0.44) | ALDH1A1MAPTNR1H3MEN1KMT2A | |
| SCHEMBL7607631 | 0.82 | NR1H3 (0.44) | ALDH1A1MAPTNR1H3MEN1KMT2A | |
| SCHEMBL7614695 | 0.82 | SMN1; SMN2 (0.42) | HDAC3HDAC1HDAC2NCOR2PTGDR2 | |
| SCHEMBL7606596 | 0.81 | NR1H3 (0.43) | ALDH1A1MAPTNR1H3MEN1KMT2A | |
| SCHEMBL7605016 | 0.80 | MAPT (0.43) | ALDH1A1MAPTNR1H3MEN1KMT2A | |
| SCHEMBL6074837 | 0.79 | ADRB3 (0.50) | ADRB3 | |
| SCHEMBL7685564 | 0.79 | ADRB3 (0.43) | ALDH1A1MAPTKDM4EMEN1KMT2A |
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-1230210-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001036375-A1 | AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-05-25 | — | — | WO | disclosed |