Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | FPR2 | P25090 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | GLA | P06280 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 1/20 | 0.60 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL147824 | 0.89 | KDM4E (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8691052 | 0.87 | MAPT (0.76) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL10568721 | 0.86 | ALDH1A1 (0.72) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13723908 | 0.86 | ALDH1A1 (0.72) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL21328365 | 0.85 | CA1 (0.68) | ALDH1A1CA1CA2KDM4EGLA | |
| SCHEMBL15679865 | 0.84 | MEN1 (0.72) | KDM4EGLAL3MBTL1MEN1KMT2A | |
| SCHEMBL12773610 | 0.83 | SMN1; SMN2 (0.75) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL3546981 | 0.82 | MAPT (0.72) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL10570968 | 0.82 | ALDH1A1 (0.67) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL3654748 | 0.82 | SMN1; SMN2 (0.69) | ALDH1A1CA12CA1CA2CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043253-A | TREATMENT OF DIABETES, OBESITY, LOWERING TRIGLYCERIDE OR CHOLESTEROL LEVELS, INCREASING HIGH DENSITY LIPOPROTEIN LEVELS OR DECREASING GUT MOTILITY, REDUCING NEUROGENIC INFLAMMATION, DEPRESSION OR GASTROINTESTINAL DISORDERS | MERCK & CO., INC. (US) | 2000-03-28 | — | — | US | disclosed |