Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28413248 | 1.00 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31306918 | 0.83 | ATM (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16011716 | 0.83 | CYP3A4 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30744975 | 0.83 | CYP3A4 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10314919 | 0.81 | NPSR1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27524296 | 0.81 | KDM4E (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15900223 | 0.81 | NPSR1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21591066 | 0.81 | NPSR1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10328686 | 0.81 | NPSR1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27784980 | 0.80 | CA12 (0.43) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111205222-B | Process for preparing pyridine ring compound | 广东东阳光药业股份有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-111205222-B | Process for preparing pyridine ring compound | 广东东阳光药业股份有限公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-111205222-B | Process for preparing pyridine ring compound | 广东东阳光药业股份有限公司 | 2024-02-06 | — | — | CN | disclosed |