Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.44 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30628251 | 0.75 | KIF11 (0.47) | KIF11GRM2GRM3ALDH1A1GAA | |
| SCHEMBL28838841 | 0.75 | KIF11 (0.47) | KIF11GRM2GRM3CYP1A2CYP2C19 | |
| SCHEMBL17420495 | 0.75 | KIF11 (0.47) | KIF11GRM2GRM3ALDH1A1GAA | |
| SCHEMBL1712451 | 0.75 | CYP1A2 (0.47) | KIF11ALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL1712450 | 0.75 | CYP1A2 (0.47) | KIF11ALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL1712531 | 0.75 | CYP1A2 (0.47) | KIF11ALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4631894 | 0.74 | KIF11 (0.51) | KIF11GRM2GRM3LOXL2LOX | |
| Hydrochloric Acid SCHEMBL8064648 | 0.73 | CYP1A2 (0.46) | KIF11ALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL30087634 | 0.71 | KIF11 (0.46) | KIF11SMN1; SMN2NPSR1 | |
| SCHEMBL12157465 | 0.71 | KIF11 (0.48) | KIF11ALDH1A1GAAHSD17B10CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0507153-B1 | Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenyl-propionic acids | CELGENE CORP (US) | 1997-07-09 | — | — | EP | claimed |
| US-5346828-A | Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenylpropionic acids using d-threonine aldolase | CELGENE CORPORATION (US) | 1994-09-13 | — | — | US | claimed |
| EP-0507153-A2 | Stereoisomeric enrichment of 2-amino-3-hydroxy-3-phenyl-propionic acids | CELGENE CORPORATION (US) | 1992-10-07 | — | — | EP | claimed |