Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.68 |
| ▸ | CA12 | O43570 | 4/20 | 0.67 |
| ▸ | CA1 | P00915 | 4/20 | 0.67 |
| ▸ | CA2 | P00918 | 4/20 | 0.67 |
| ▸ | CA7 | P43166 | 4/20 | 0.67 |
| ▸ | CA9 | Q16790 | 4/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.67 |
| ▸ | CA4 | P22748 | 3/20 | 0.67 |
| ▸ | CA6 | P23280 | 3/20 | 0.67 |
| ▸ | CA3 | P07451 | 2/20 | 0.67 |
| ▸ | CA5A | P35218 | 2/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | SELL | P14151 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | SELP | P16109 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Gallic Acid SCHEMBL2522451 | 0.84 | CA12 (0.94) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL30375631 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL29484566 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL1845406 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL8088102 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL15012 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL4918056 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| Gallic Acid SCHEMBL678990 | 0.81 | CA12 (1.00) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL975675 | 0.81 | PTGS2 (1.00) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL19199416 | 0.81 | PTGS2 (0.66) | PTGS2CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000263033-A | METHOD FOR CONTROLLING DRUG CONCENTRATION IN CIRCULATING WATER SYSTEM | AQUAS CORP | 2000-09-26 | — | — | JP | disclosed |