Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.78 |
| ▸ | MAOA | P21397 | 2/20 | 0.71 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.71 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.71 |
| ▸ | DRD2 | P14416 | 4/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | DRD1 | P21728 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5908036 | 0.89 | TP53 (0.98) | TP53TSHRMAPK1MAOANR1I2 | |
| SCHEMBL29651290 | 0.89 | TP53 (0.98) | TP53TSHRMAPK1MAOANR1I2 | |
| Hydrochloric Acid SCHEMBL2000082 | 0.88 | TP53 (1.00) | TP53TSHRMAPK1MAOANR1I2 | |
| Methopholine SCHEMBL30492235 | 0.83 | NR1I2 (1.00) | TP53TSHRMAPK1MAOANR1I2 | |
| Methopholine SCHEMBL26169 | 0.83 | NR1I2 (1.00) | TP53TSHRMAPK1MAOANR1I2 | |
| SCHEMBL3991605 | 0.77 | TSHR (0.50) | TP53TSHRMAPK1MAOANR1I2 | |
| SCHEMBL13356020 | 0.76 | DRD2 (1.00) | MAPK1DRD2DRD4DRD1DRD3 | |
| SCHEMBL29617590 | 0.76 | DRD2 (1.00) | MAPK1DRD2DRD4DRD1DRD3 | |
| SCHEMBL20683170 | 0.76 | DRD2 (0.79) | TP53TSHRMAPK1MAOANR1I2 | |
| SCHEMBL12633796 | 0.75 | DRD2 (0.65) | MAOADRD2DRD4DRD1DRD3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5952344-A | TREATING AND CONTROL OF DISEASES WHICH REPRESENT THERAPEUTIC INDICATIONS FOR NMDA(N-METHYL-D-ASPERTATE) RECEPTOR SUBTYPE SPECIFIC BLOKERS BY ADMINISTERING TETRAHYDROISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1999-09-14 | — | — | US | claimed |
| EP-0787493-A1 | Tetrahydroisoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-08-06 | — | — | EP | claimed |
| US-6071929-A | SELECTIVE BLOCKERS OF N-METHYL-D-ASPARTIC ACID FOR TEATMENT OF NERVOUS SYSTEM AND BRAIN DISORDERS OR INJURIES | HOFFMAN-LA ROCHE INC. (US) | 2000-06-06 | — | — | US | disclosed |
| US-5952344-A | TREATING AND CONTROL OF DISEASES WHICH REPRESENT THERAPEUTIC INDICATIONS FOR NMDA(N-METHYL-D-ASPERTATE) RECEPTOR SUBTYPE SPECIFIC BLOKERS BY ADMINISTERING TETRAHYDROISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0787493-A1 | Tetrahydroisoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-08-06 | — | — | EP | disclosed |