Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.63 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.63 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.63 |
| ▸ | F2 | P00734 | 2/20 | 0.63 |
| ▸ | PLG | P00747 | 2/20 | 0.63 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.63 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.63 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5358477 | 0.86 | TPSAB1 (0.54) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5368103 | 0.85 | TPSAB1 (0.71) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5362072 | 0.83 | TPSAB1 (0.60) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5366291 | 0.83 | TPSAB1 (0.72) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5362834 | 0.83 | TPSAB1 (0.72) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5367960 | 0.83 | TPSAB1 (0.72) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5368197 | 0.83 | TPSAB1 (0.72) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL14425168 | 0.82 | TPSAB1 (0.70) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL5378227 | 0.82 | ENPP2 (0.46) | TPSAB1TPSD1TPSG1F2PLG | |
| SCHEMBL14439004 | 0.82 | 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 |