Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | EPOR | P19235 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611191 | 0.93 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7606579 | 0.88 | NR1H3 (0.43) | ALDH1A1C5AR1NR1H3MAPTEPOR | |
| SCHEMBL7606168 | 0.86 | PTPN2 (0.41) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7610365 | 0.85 | AOC3 (0.40) | ALDH1A1C5AR1NR1H3MAPTEPOR | |
| SCHEMBL7611109 | 0.85 | AOC3 (0.40) | ALDH1A1C5AR1NR1H3MAPTEPOR | |
| SCHEMBL7605952 | 0.83 | NR1H3 (0.48) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7606221 | 0.79 | NPC1 (0.46) | KDM4EC5AR1F2F10PRSS1 | |
| SCHEMBL7610067 | 0.79 | AR (0.38) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7608227 | 0.78 | PTGS1 (0.40) | CYP1A2CYP2C19MAPTEPORSMN1; SMN2 | |
| SCHEMBL7614703 | 0.78 | SMN1; SMN2 (0.41) | ALDH1A1KDM4EMAPTMEN1KMT2A |
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 |