Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9316652 | 0.95 | CA1 (0.51) | CA1CA2BCHEACHECES2 | |
| SCHEMBL9316665 | 0.95 | MEN1 (0.55) | CA1CA2BCHEACHECES2 | |
| SCHEMBL9316353 | 0.94 | CA1 (0.50) | CA1CA2BCHEACHECES2 | |
| SCHEMBL9316427 | 0.94 | CA1 (0.52) | CA1CA2BCHEACHECES2 | |
| SCHEMBL9254186 | 0.86 | GSK3B (0.50) | CA1CA2BCHEACHECES1 | |
| SCHEMBL4452972 | 0.85 | CA1 (0.62) | CA1CA2BCHEACHECES2 | |
| SCHEMBL4456578 | 0.82 | CA1 (0.58) | CA1CA2BCHEACHECES2 | |
| SCHEMBL4447552 | 0.81 | CA1 (0.56) | CA1CA2BCHEACHECES2 | |
| SCHEMBL4456869 | 0.80 | CA1 (0.55) | CA1CA2BCHEACHECES2 | |
| SCHEMBL2596732 | 0.80 | CA1 (0.74) | CA1CA2BCHEACHECES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5281523-A | Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate | THE CATHOLIC UNIVERSITY OF AMERICA (US) | 1994-01-25 | — | — | US | claimed |
| US-5314815-A | Method for temporarily inhibiting or deactivating serine hydrolase and adduct of serine hydrolase with a phosphonate or phosphate compound | THE CATHOLIC UNIVERSITY OF AMERICA (US) | 1994-05-24 | — | — | US | disclosed |
| US-5281523-A | Adduct of serine hydrolase and nitrophenyl pnenacyl phosphonate | THE CATHOLIC UNIVERSITY OF AMERICA (US) | 1994-01-25 | — | — | US | disclosed |