Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9316348 | 0.95 | CA1 (0.56) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL9316665 | 0.90 | MEN1 (0.55) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL9316353 | 0.89 | CA1 (0.50) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL9316427 | 0.89 | CA1 (0.52) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL4447552 | 0.87 | CA1 (0.56) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL6072598 | 0.84 | CA1 (0.53) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL9254186 | 0.82 | GSK3B (0.50) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL4452972 | 0.81 | CA1 (0.62) | CA1CA2ACHEBCHEKMT2A | |
| SCHEMBL11133530 | 0.80 | PKM (0.64) | ACHEKMT2AMEN1PKMKDM4E | |
| SCHEMBL4456578 | 0.78 | CA1 (0.58) | CA1CA2ACHEBCHEKMT2A |
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 |