Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.80 |
| ▸ | MAOA | P21397 | 1/20 | 0.80 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.80 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.80 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.80 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.68 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.68 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Methopholine SCHEMBL30492235 | 0.89 | NR1I2 (1.00) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| Methopholine SCHEMBL26169 | 0.89 | NR1I2 (1.00) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL27961570 | 0.85 | MAOA (0.72) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL3250242 | 0.82 | KCNN2 (1.00) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL3253219 | 0.82 | KCNN2 (0.94) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| Homolaudanosine SCHEMBL7550998 | 0.81 | NR1I2 (0.67) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL5908036 | 0.81 | TP53 (0.98) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL29651290 | 0.81 | TP53 (0.98) | NR1I2MAOAPTGS2OPRK1SLC6A3 | |
| SCHEMBL12021032 | 0.81 | LMNA (0.70) | MAPK1LMNAKDM4EALDH1A1HSD17B10 | |
| SCHEMBL3251892 | 0.80 | KCNN2 (0.91) | NR1I2MAOAPTGS2OPRK1SLC6A3 |
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 |