Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 4/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 4/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.31 |
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3043850 | 0.86 | GRIN1 (0.41) | PIK3CDCYP2C9CYP2C19EPHX2ITGB2 | |
| SCHEMBL2805368 | 0.85 | GRIN1 (0.34) | PIK3CDGRIN1GRIN2BBACE1CTSD | |
| SCHEMBL3034171 | 0.78 | PGR (0.40) | ITGB2ICAM1ITGALGRIN1GRIN2B | |
| SCHEMBL1852732 | 0.76 | GRIN1 (0.34) | GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL3034056 | 0.74 | PGR (0.40) | CYP2C9CYP2C19ITGB2ICAM1ITGAL | |
| SCHEMBL3042061 | 0.74 | SLC11A2 (0.44) | GRIN1GRIN2BBACE1BACE2CTSD | |
| SCHEMBL3027206 | 0.74 | GRIN1 (0.43) | GRIN1GRIN2BBACE1BACE2CTSD | |
| SCHEMBL3031170 | 0.73 | DRD2 (0.41) | PIK3CDEPHX2ITGB2ICAM1ITGAL | |
| SCHEMBL3040619 | 0.73 | PGR (0.37) | ITGB2ICAM1ITGALGRIN1GRIN2B | |
| SCHEMBL3041111 | 0.72 | DRD2 (0.38) | PIK3CDEPHX2ITGB2ICAM1ITGAL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2209373-B1 | N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME (US) | 2012-05-23 | — | — | EP | disclosed |