Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isoflurophate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.83 |
| ▸ | CTSA | P10619 | 1/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LAP3 | P28838 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Isoflurophate SCHEMBL63841 | 0.91 | CTSA (1.00) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| Isoflurophate SCHEMBL28660597 | 0.90 | CTSA (0.75) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| Isoflurophate SCHEMBL27896113 | 0.86 | CTSA (0.88) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| Isoflurophate SCHEMBL1525589 | 0.85 | CTSA (0.68) | CTSAACHEKDM4ETDP1 | |
| Isopropyl Methylphosphonofluoridate SCHEMBL28755764 | 0.81 | CTSA (0.55) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| SCHEMBL3389501 | 0.80 | — | — | |
| SCHEMBL510277 | 0.78 | — | — | |
| SCHEMBL7715203 | 0.77 | CTSA (0.50) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| Isopropyl Methylphosphonofluoridate SCHEMBL292414 | 0.76 | CTSA (0.55) | CTSAACHEKDM4ETDP1ALDH1A1 | |
| Isopropyl Methylphosphonofluoridate SCHEMBL31147866 | 0.76 | CTSA (0.55) | CTSAACHEKDM4ETDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5492830-A | CONTACTING RACEMIC ESTER IN AQUEOUS MEDIUM WITH SERINE CARBOXYPEPTIDASE TO HYDROLYZE S-ENANTIOMER PREFERENTIALLY | GENZYME CORPORATION (US) | 1996-02-20 | — | — | US | disclosed |