Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL819393 | 1.00 | CYP2C19 (0.55) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL7909074 | 1.00 | CYP2C19 (0.55) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL30371912 | 0.89 | CYP2C19 (0.61) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL7345071 | 0.88 | PTGS2 (0.52) | CYP2C19LMNAKMT2AGAA | |
| SCHEMBL27774723 | 0.88 | CYP2C19 (0.52) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL1978414 | 0.86 | TBXAS1 (0.52) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL4441244 | 0.83 | TRPA1 (0.47) | CYP2C19CYP2D6SRCLMNAPOLB | |
| SCHEMBL927673 | 0.83 | ESR1 (0.46) | CYP2C19CYP2D6SRCLMNAPOLB | |
| SCHEMBL7909103 | 0.83 | EPHX1 (0.61) | CYP2C19CYP2D6SRCLMNAMAPK1 | |
| SCHEMBL7906106 | 0.83 | EPHX1 (0.61) | CYP2C19CYP2D6SRCLMNAMAPK1 |
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-6207862-B1 | PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, | BIOCATALYTICS, INC. | 2001-03-27 | — | — | US | disclosed |
| WO-1999032649-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |
| US-5916786-A | Method for the production of chiral 1,3-aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-06-29 | — | — | US | disclosed |