Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13557815 | 0.91 | CA2 (0.48) | CA2CYP4A11PPARACYP4F2HIF1A | |
| SCHEMBL725819 | 0.83 | ESR1 (0.54) | CA2LTA4HHIF1AL3MBTL1TDP1 | |
| SCHEMBL27904932 | 0.81 | ESR1 (0.52) | CA2LTA4HHIF1AL3MBTL1TDP1 | |
| SCHEMBL239040 | 0.81 | CA2 (0.60) | CA2CYP4A11PPARALTA4HEPHX2 | |
| SCHEMBL2457708 | 0.78 | CA2 (0.50) | CA2CYP4A11PPARALTA4HEPHX2 | |
| SCHEMBL5908716 | 0.78 | SPHK2 (0.40) | HIF1A | |
| SCHEMBL3245743 | 0.78 | TAAR1 (0.46) | PPARAL3MBTL1 | |
| SCHEMBL3246238 | 0.78 | CYP2A6 (0.46) | L3MBTL1TDP1ALDH1A1 | |
| SCHEMBL5074036 | 0.78 | TSHR (0.54) | CA2HIF1ACA1TSHRALDH1A1 | |
| SCHEMBL3242822 | 0.78 | TAAR1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019031618-A1 | PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE | 大正製薬株式会社 | 2019-02-14 | — | — | WO | disclosed |