Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.49 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.49 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.49 |
| ▸ | F2 | P00734 | 2/20 | 0.49 |
| ▸ | PLG | P00747 | 2/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14425669 | 0.85 | TPSAB1 (0.49) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5360257 | 0.84 | TPSAB1 (0.60) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5378278 | 0.84 | TPSAB1 (0.48) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5362303 | 0.84 | TPSAB1 (0.48) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5360997 | 0.83 | GRIN2B (0.50) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5362389 | 0.82 | TPSAB1 (0.58) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5369448 | 0.81 | TPSAB1 (0.51) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5454042 | 0.80 | TPSAB1 (0.61) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5367222 | 0.80 | TPSAB1 (0.61) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5437286 | 0.80 | TPSAB1 (0.61) | TPSAB1TPSD1TPSG1F2PLG |
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 |