Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28458253 | 0.70 | ALDH1A1 (0.50) | CA12CA9CA1CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL320520 | 0.70 | ALDH1A1 (0.48) | CA1CA2TAAR1ALDH1A1 | |
| SCHEMBL7642636 | 0.69 | MMP13 (0.35) | CA12CA9CA7CA1CA2 | |
| SCHEMBL15422816 | 0.67 | AOC3 (0.46) | CA12CA9CA1CA2ALDH1A1 | |
| SCHEMBL16897601 | 0.67 | HRH1 (0.37) | TAAR1ALDH1A1PTGES2MEN1KMT2A | |
| SCHEMBL7642631 | 0.67 | ALDH1A1 (0.36) | CA12CA9CA7ALDH1A1MEN1 | |
| SCHEMBL23669022 | 0.66 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19SMN1; SMN2 | |
| SCHEMBL23669838 | 0.66 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19SMN1; SMN2 | |
| SCHEMBL23669025 | 0.66 | CYP2C19 (0.44) | TAAR1ALDH1A1PTGES2CYP2C19SMN1; SMN2 | |
| SCHEMBL1792962 | 0.65 | PTGES2 (0.44) | CA12CA9CA7CA1CA2 |
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 |