Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.53 |
| ▸ | CA2 | P00918 | 10/20 | 0.53 |
| ▸ | CA9 | Q16790 | 8/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA6 | P23280 | 2/20 | 0.53 |
| ▸ | CA5A | P35218 | 2/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21806031 | 1.00 | CA1 (0.53) | CA1CA2CA9CA12CA7 | |
| Ammonia Solution, Strong SCHEMBL27934705 | 0.98 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL2906554 | 0.98 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| Butane SCHEMBL22500000 | 0.98 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6883538 | 0.98 | CA1 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL18984636 | 0.92 | CA1 (0.50) | CA1CA2CA9CA12CA7 | |
| Octadecylamine SCHEMBL9190397 | 0.91 | CA1 (0.50) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6243445 | 0.87 | CA1 (0.61) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28228240 | 0.86 | CA1 (0.55) | CA1CA2CA9CA12CA7 | |
| Sulfuric Acid SCHEMBL20975510 | 0.85 | CA1 (0.59) | CA1CA2CA9CA12CA7 |
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-102625731-A | Palladium catalyst system comprising zwitterion and/or acid-functionalized ionic liquid | TECHNICAL UNIVERISTY OF DENMARK | 2012-08-01 | — | — | CN | disclosed |