Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.48 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.43 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.43 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | BCL9 | O00512 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365537 | 0.91 | LCK (0.51) | GRIN2BNPC1L1LCKALDH1A1CYP2D6 | |
| SCHEMBL5362950 | 0.89 | GRIN2B (0.62) | GRIN2BTPSAB1TPSD1TPSG1F2 | |
| SCHEMBL5367560 | 0.84 | NPC1L1 (0.63) | GRIN2BNPC1L1EPHX2TPSAB1TPSD1 | |
| SCHEMBL5370603 | 0.82 | F2 (0.56) | GRIN2BNPC1L1EPHX2TPSAB1TPSD1 | |
| SCHEMBL14425304 | 0.81 | NPC1L1 (0.49) | GRIN2BNPC1L1EPHX2TPSAB1TPSD1 | |
| SCHEMBL5368434 | 0.79 | GRIN2B (0.62) | GRIN2BTPSAB1TPSD1TPSG1F2 | |
| SCHEMBL5360411 | 0.79 | TPSAB1 (0.55) | GRIN2BTPSAB1TPSD1TPSG1F2 | |
| SCHEMBL5364342 | 0.79 | GRIN2B (0.61) | GRIN2BTPSAB1TPSD1TPSG1F2 | |
| SCHEMBL5358652 | 0.79 | GRIN2B (0.64) | GRIN2BTPSAB1TPSD1TPSG1F2 | |
| SCHEMBL5365016 | 0.76 | KDM1A (0.45) | GRIN2BKMT2ACYP2D6KCNH2 |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |