Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19124753 | 0.94 | KIF11 (0.44) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL19130469 | 0.94 | KIF11 (0.44) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL2276642 | 0.90 | ALDH1A1 (0.57) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL27821003 | 0.89 | ALDH1A1 (0.45) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL1738773 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL29699821 | 0.86 | ALDH1A1 (0.44) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL2283180 | 0.86 | MAOB (0.46) | ALDH1A1MAPK1CA1CA2CA9 | |
| SCHEMBL8240791 | 0.84 | CYP19A1 (0.46) | ALDH1A1KMT2ALMNA | |
| SCHEMBL12525446 | 0.82 | CA1 (0.48) | ALDH1A1MAPK1CA1CA2CA5A | |
| SCHEMBL29945227 | 0.81 | MEN1 (0.49) | ALDH1A1MAPK1CA1CA2CA5A |
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 |