Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CETP | P11597 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7612335 | 0.99 | CA1 (0.56) | CA1CA2CA12CA9AR | |
| SCHEMBL7610352 | 0.96 | CA1 (0.58) | CA1CA2CA12CA9AR | |
| SCHEMBL7610628 | 0.90 | CA1 (0.61) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL7605430 | 0.85 | CA1 (0.67) | CA1CA2CA12CA9AR | |
| SCHEMBL21494266 | 0.82 | CA12 (0.62) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL991967 | 0.79 | CA1 (0.67) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL27627546 | 0.78 | HDAC3 (0.54) | CETPHTT | |
| SCHEMBL6924982 | 0.78 | MEN1 (0.67) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL27949558 | 0.78 | HDAC3 (0.54) | CETPHTT | |
| SCHEMBL28283782 | 0.78 | HDAC3 (0.54) | CETPHTT |
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 |