Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10982440 | 0.97 | CA1 (0.35) | CA1CA2CA4CA12CA7 | |
| SCHEMBL439846 | 0.97 | CA1 (0.38) | CA1CA2CA4CA12CA7 | |
| Ethylene SCHEMBL27505929 | 0.90 | CA1 (0.35) | CA1CA2CA4CA12CA7 | |
| Bromide SCHEMBL10982443 | 0.90 | CA1 (0.35) | CA1CA2CA4CA12CA7 | |
| Cyanide SCHEMBL21633856 | 0.88 | CA1 (0.33) | CA1CA2CA4CA12CA7 | |
| SCHEMBL28420644 | 0.84 | AKR1B1 (0.35) | CA1CA2CA4CA12CA7 | |
| SCHEMBL4601309 | 0.81 | CA12 (0.33) | CA1CA2CA12CA7CA13 | |
| Acetonitrile SCHEMBL28945834 | 0.81 | CA1 (0.30) | CA1CA2CA4CA12CA7 | |
| Phosphoric Acid SCHEMBL28983528 | 0.81 | CA1 (0.39) | CA1CA2CA4CA12CA7 | |
| SCHEMBL28498845 | 0.79 | CA1 (0.32) | CA1CA2CA4CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0995753-B1 | Method for manufacturing fluoroaryl magnesium halide | NIPPON CATALYTIC CHEM IND (JP) | 2004-02-18 | — | — | EP | disclosed |
| US-6235222-B1 | REACTING, IN SOLVENT CONTAINING CHAIN ETHER SOLVENT, HYDROCARBON MAGNESIUM HALIDE WITH FLUOROARYL HALIDE | NIPPON SHOKUBAI CO., LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0995753-A2 | Method for manufacturing fluoroaryl magnesium halide | Nippon Shokubai Co., Ltd. (JP) | 2000-04-26 | — | — | EP | disclosed |