Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.68 |
| ▸ | CA1 | P00915 | 8/20 | 0.68 |
| ▸ | CA6 | P23280 | 4/20 | 0.68 |
| ▸ | CA4 | P22748 | 3/20 | 0.68 |
| ▸ | CA9 | Q16790 | 9/20 | 0.50 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA5A | P35218 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.47 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.43 |
| ▸ | FEN1 | P39748 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1080972 | 0.89 | CA2 (0.61) | CA2CA1CA6CA4CA9 | |
| SCHEMBL8347239 | 0.86 | CA2 (0.58) | CA2CA1CA6CA4CA9 | |
| SCHEMBL5818974 | 0.83 | CA2 (0.50) | CA2CA1CA6CA4CA9 | |
| SCHEMBL344271 | 0.81 | CA2 (1.00) | CA2CA1CA6CA4CA9 | |
| SCHEMBL30630011 | 0.81 | CA2 (1.00) | CA2CA1CA6CA4CA9 | |
| SCHEMBL6294222 | 0.81 | CA1 (0.48) | CA2CA1CA6CA4CA9 | |
| Potassium SCHEMBL10415326 | 0.79 | CA2 (0.95) | CA2CA1CA6CA4CA9 | |
| SCHEMBL10415325 | 0.79 | CA2 (0.95) | CA2CA1CA6CA4CA9 | |
| SCHEMBL7967712 | 0.78 | CA2 (0.50) | CA2CA1CA6CA4CA9 | |
| SCHEMBL6820364 | 0.78 | CA2 (0.50) | CA2CA1CA6CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003076930-A1 | METHOD FOR CHARACTERIZING METABOLITES USING HYDROGEN/DEUTERIUM EXCHANGE | WARNER-LAMBERT COMPANY LLC (US) | 2003-09-18 | — | — | WO | disclosed |
| US-20030175979-A1 | System and method for characterizing metabolites using hydrogen/deuterium exchange | LAM WING WAH (US) | 2003-09-18 | — | — | US | disclosed |
| EP-1345028-A1 | Method for charcterizing metabolites using hydrogen/deuterium exchange | Warner-Lambert Company LLC (US) | 2003-09-17 | — | — | EP | disclosed |