Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 7/20 | 0.58 |
| ▸ | CA2 | P00918 | 7/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA7 | P43166 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 1,4-Dimethoxybenzene SCHEMBL5960077 | 0.89 | CA1 (0.65) | PKMCA1CA2CA9CA12 | |
| Anisole SCHEMBL640408 | 0.88 | CA4 (0.64) | PKMCA1CA2CA9CA12 | |
| SCHEMBL10882693 | 0.85 | SMN1; SMN2 (0.53) | PKMCA1CA2CA9CA12 | |
| SCHEMBL8957241 | 0.82 | APP (0.57) | CA1CA2CA9GAAALDH1A1 | |
| Mequinol SCHEMBL23541071 | 0.80 | PKM (0.73) | PKMCA1CA2CA9CA12 | |
| SCHEMBL6108870 | 0.80 | PKM (0.67) | PKMCA1CA2CA9CA12 | |
| SCHEMBL67837 | 0.80 | PKM (0.67) | PKMCA1CA2CA9CA12 | |
| SCHEMBL14015361 | 0.80 | CA1 (0.61) | PKMCA1CA2CA9CA12 | |
| SCHEMBL931563 | 0.80 | HPGD (0.61) | PKMCA1CA2CA9CA12 | |
| SCHEMBL5727965 | 0.80 | ACHE (0.71) | PKMCA1CA2CA9CA12 |
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-2094687-A1 | 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS | Piramal Life Sciences Limited (IN) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008035306-A1 | 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2008-03-27 | — | — | WO | disclosed |