Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 16/20 | 0.59 |
| ▸ | CA2 | P00918 | 16/20 | 0.59 |
| ▸ | CA9 | Q16790 | 14/20 | 0.59 |
| ▸ | CA12 | O43570 | 8/20 | 0.59 |
| ▸ | CA4 | P22748 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22714078 | 0.78 | ALDH1A1 (0.53) | MAPT | |
| SCHEMBL1462528 | 0.78 | RAB9A (0.47) | CA1CA2CA9CA12MAPT | |
| SCHEMBL21580604 | 0.77 | CA1 (0.67) | CA1CA2CA9CA12CA4 | |
| SCHEMBL12703929 | 0.77 | CA1 (0.67) | CA1CA2CA9CA12CA4 | |
| SCHEMBL21580603 | 0.77 | CA1 (0.67) | CA1CA2CA9CA12CA4 | |
| SCHEMBL6226286 | 0.75 | CA1 (0.69) | CA1CA2CA9CA12MAPT | |
| SCHEMBL4639592 | 0.74 | CA1 (0.65) | CA1CA2CA9CA12CA4 | |
| SCHEMBL31704024 | 0.74 | CA1 (0.51) | CA1CA2CA9CA12CA4 | |
| SCHEMBL6130723 | 0.72 | CA1 (0.58) | CA1CA2CA9CA12CA4 | |
| SCHEMBL31703761 | 0.72 | CA2 (0.53) | CA1CA2CA9CA12CA4 |
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-102746232-A | Preparation method of celecoxib impurity | SHIJIAZHUANG PHARM GROUP OUYI | 2012-10-24 | — | — | CN | disclosed |