Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.59 |
| ▸ | CA1 | P00915 | 9/20 | 0.59 |
| ▸ | MMP1 | P03956 | 9/20 | 0.59 |
| ▸ | MMP2 | P08253 | 9/20 | 0.59 |
| ▸ | MMP9 | P14780 | 9/20 | 0.59 |
| ▸ | MMP8 | P22894 | 9/20 | 0.59 |
| ▸ | MMP13 | P45452 | 9/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12190292 | 0.87 | CA1 (0.70) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL4945399 | 0.82 | L3MBTL1 (0.52) | CA2CA1HSD17B2HSD17B1PKM | |
| SCHEMBL29910058 | 0.82 | L3MBTL1 (0.52) | CA2CA1HSD17B2HSD17B1PKM | |
| SCHEMBL30485902 | 0.80 | CA2 (0.50) | CA2CA1MMP2HSD17B2HSD17B1 | |
| SCHEMBL16720181 | 0.79 | HSD17B2 (0.71) | HSD17B2HSD17B1PKMALDH1A1LMNA | |
| SCHEMBL31146723 | 0.78 | CA2 (0.61) | CA2HSD17B2HSD17B1PKMCA12 | |
| SCHEMBL10340796 | 0.78 | CA2 (0.61) | CA2HSD17B2HSD17B1PKMCA12 | |
| SCHEMBL69135 | 0.78 | CA2 (0.61) | CA2HSD17B2HSD17B1PKMCA12 | |
| SCHEMBL11962953 | 0.78 | CA1 (0.59) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL8224043 | 0.78 | KMT2A (0.65) | CA2CA1MMP1MMP2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102516161-A | Pyridine and pyrimidine derivatives as mglur2 antagonists | HOFFMANN LA ROCHE | 2012-06-27 | — | — | CN | disclosed |
| CN-101415681-A | Pyridine and pyrimidine derivatives as mGluR2 antagonists | HOFFMANN LA ROCHE (CH) | 2009-04-22 | — | — | CN | disclosed |