Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGAV | P06756 | 3/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.32 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5028394 | 0.76 | GRIN2B (0.40) | GRIN2BNPY5REPHX1EPHX2CYP3A4 | |
| SCHEMBL5024033 | 0.75 | GRIN2B (0.42) | GRIN2BNPY5REPHX1EPHX2CYP3A4 | |
| SCHEMBL5879510 | 0.74 | GRIN2B (0.41) | GRIN2BNPY5REPHX1EPHX2CYP3A4 | |
| SCHEMBL3035919 | 0.66 | GRIN2B (0.68) | GRIN2BCYP3A4CYP2D6CYP2C9NOS2 | |
| SCHEMBL5028389 | 0.62 | ITGB3 (0.41) | ITGB3ITGAVITGA2BITGB5 | |
| SCHEMBL13118523 | 0.60 | GRIN2B (0.57) | GRIN2BITGB3ITGAVITGB1ITGA2B | |
| SCHEMBL6442550 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL5352852 | 0.60 | GRIN2B (1.00) | GRIN2BCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL38662696 | 0.59 | L3MBTL1 (0.49) | NPY5REPHX1EPHX2NAMPTRBP4 | |
| Acetic Acid SCHEMBL5879702 | 0.58 | ITGB3 (0.61) | GRIN2BITGB3ITGAVITGB1ITGA2B |
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-1286673-B8 | LIGANDS OF INTEGRIN RECEPTORS | ABBOTT GMBH & CO KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1286673-A2 | LIGANDS OF INTEGRIN RECEPTORS | Basf Aktiengesellschaft (DE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001093840-A2 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2001-12-13 | — | — | WO | disclosed |