Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.67 |
| ▸ | CA1 | P00915 | 8/20 | 0.67 |
| ▸ | CA9 | Q16790 | 3/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA7 | P43166 | 1/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL301718 | 0.98 | CA2 (0.69) | CA2CA1CA9CA12CA4 | |
| Thiophene SCHEMBL20502568 | 0.85 | CA2 (0.55) | CA2CA1CA9CA12CA4 | |
| SCHEMBL1179872 | 0.80 | CA2 (1.00) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30291222 | 0.80 | CA2 (0.64) | CA2CA1CA9CA12CA4 | |
| SCHEMBL1512006 | 0.80 | CA2 (0.64) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30291161 | 0.80 | CA2 (1.00) | CA2CA1CA9CA12CA4 | |
| SCHEMBL30291220 | 0.80 | CA2 (0.64) | CA2CA1CA9CA12CA4 | |
| SCHEMBL21430059 | 0.80 | CA2 (0.70) | CA2CA1CA9CA12CA4 | |
| SCHEMBL15068035 | 0.80 | CA2 (0.61) | CA2CA1CA9CA12CA4 | |
| SCHEMBL13885067 | 0.80 | CA2 (0.59) | CA2CA1CA9CA12CA4 |
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-109867671-A | The crystal form and its pharmaceutical composition and purposes of a kind of pyrazoles [1,5-a] pyridine compounds | 广东东阳光药业有限公司 | 2019-06-11 | — | — | CN | disclosed |
| CN-109867668-A | The crystal form and its pharmaceutical composition and purposes of a kind of pyrazoles [1,5-a] pyridine compounds | 广东东阳光药业有限公司 | 2019-06-11 | — | — | CN | disclosed |