Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7611451 | 1.00 | APP (0.42) | APPCYP19A1FFAR4CHRM2CHRM5 | |
| SCHEMBL14090696 | 0.86 | CYP19A1 (0.46) | APPCYP19A1CHRM2CHRM5CHRM3 | |
| SCHEMBL5205310 | 0.83 | ALDH1A1 (0.40) | CYP19A1PKMALDH1A1LMNA | |
| SCHEMBL5205302 | 0.83 | ALDH1A1 (0.40) | CYP19A1PKMALDH1A1LMNA | |
| SCHEMBL5206971 | 0.82 | CYP19A1 (0.47) | CYP19A1FFAR4ALDH1A1MAPT | |
| SCHEMBL963858 | 0.82 | CYP19A1 (0.42) | APPCYP19A1PDE4APDE4BPDE4C | |
| SCHEMBL5203737 | 0.80 | CYP19A1 (0.47) | CYP19A1ALDH1A1MAPK1MAPT | |
| SCHEMBL6139688 | 0.78 | CYP19A1 (0.45) | CYP19A1PKMKEAP1NFE2L2ALDH1A1 | |
| Acetic Acid SCHEMBL6139684 | 0.78 | CYP19A1 (0.48) | CYP19A1ALDH1A1LMNAMAPK1MAPT | |
| SCHEMBL7606241 | 0.76 | CYP19A1 (0.41) | APPCYP19A1FFAR4 |
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 |