Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.65 |
| ▸ | CA2 | P00918 | 4/20 | 0.65 |
| ▸ | CA7 | P43166 | 4/20 | 0.65 |
| ▸ | CA9 | Q16790 | 4/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA6 | P23280 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | DBH | P09172 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | XDH | P47989 | 1/20 | 0.56 |
| ▸ | TOP1 | P11387 | 3/20 | 0.54 |
| ▸ | SNCA | P37840 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2492579 | 1.00 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1758192 | 0.81 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1599733 | 0.81 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL39435 | 0.79 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL29350008 | 0.79 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL27815804 | 0.79 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL30030432 | 0.79 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL23495982 | 0.77 | CA12 (0.95) | CA12CA1CA2CA7CA9 | |
| SCHEMBL144106 | 0.77 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| Protocatechuic Acid SCHEMBL9491440 | 0.77 | CA12 (0.95) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114423766-A | Penicilliane derivatives for the treatment of bacterial infections | 丹诺医药(苏州）有限公司 | 2022-04-29 | — | — | CN | disclosed |