Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746791 | 0.80 | ALDH1A1 (0.37) | GAACYP2C9CYP2C19CYP1A2SMN1; SMN2 | |
| SCHEMBL8488938 | 0.76 | ADH1B (0.35) | GAACTSKCYP2C9CYP2C19HTT | |
| SCHEMBL1366125 | 0.75 | HCAR2 (0.59) | CYP2C9CYP2C19HTTLMNANR1I2 | |
| SCHEMBL1366123 | 0.75 | HCAR2 (0.59) | CYP2C9CYP2C19HTTLMNANR1I2 | |
| SCHEMBL8093037 | 0.75 | GAA (0.39) | GAAMGAMSIMGAM2CYP2C9 | |
| SCHEMBL12274267 | 0.73 | CA2 (0.38) | CTSKCYP2D6 | |
| SCHEMBL28682778 | 0.72 | HTT (0.38) | GAAMGAMSIMGAM2CTSK | |
| SCHEMBL28383745 | 0.72 | HTT (0.38) | GAAMGAMSIMGAM2CTSK | |
| SCHEMBL7437449 | 0.72 | GAA (0.48) | GAAMGAMSIMGAM2CTSK | |
| SCHEMBL1936376 | 0.72 | ALDH1A1 (0.52) | GAAMGAMSIMGAM2CTSK |
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-6069272-A | Simplified method for the production of vinyl glycine (2-aminobut-3-enoic acid) and a convenient resolution of a derivative | HOECHST AKTIENGESELLSCHAFT (DE) | 2000-05-30 | — | — | US | disclosed |
| EP-0559927-B1 | A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative | HOECHST AG (DE) | 1997-03-05 | — | — | EP | disclosed |
| EP-0559927-A1 | A simplified method for the production of vinyl glycine (2-aminobut-3-enioc acid) and a convenient resolution of a derivative | Hoechst Schering AgrEvo GmbH (DE) | 1993-09-15 | — | — | EP | disclosed |