Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6320375 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7612133 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7605446 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7611730 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL6327236 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL6321886 | 0.83 | ALDH1A1 (0.63) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7612298 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRPOLBNPC1MAPT | |
| SCHEMBL7606888 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7606596 | 0.80 | NR1H3 (0.43) | ALDH1A1TSHRPOLBNPC1NR1H3 | |
| SCHEMBL7607627 | 0.79 | NR1H3 (0.44) | ALDH1A1TSHRPOLBNPC1NR1H3 |
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 |