Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3395753 | 0.86 | GRIN1 (0.41) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL13242104 | 0.85 | SLC6A4 (0.36) | SLC6A4MMP13HTR7HPGD | |
| SCHEMBL7885222 | 0.82 | HDAC3 (0.33) | GRIN1GRIN2B | |
| SCHEMBL7879750 | 0.82 | GRIN1 (0.43) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL4689099 | 0.81 | HSD11B1 (0.42) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL28609062 | 0.79 | SLC6A3 (0.39) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL4689021 | 0.78 | GRIN1 (0.40) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL121021 | 0.77 | SLC6A4 (0.37) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL11239184 | 0.72 | CHRNA1 (0.35) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 | |
| SCHEMBL11243462 | 0.71 | CHRNA1 (0.34) | GRIN1GRIN2BCHRNA1CHRNGCHRNB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2246331-A1 | NR2B-selective NMDA-receptor antagonists | Westfälische Wilhelms-Universität Münster (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2010122134-A1 | NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS | Westfälische Wilhelms Universität Münster (DE) | 2010-10-28 | — | — | WO | disclosed |