Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21448024 | 0.80 | SLC6A3 (0.41) | MAOAMAOBMEN1ALDH1A1HPGD | |
| SCHEMBL21448023 | 0.79 | ADRA2A (0.43) | MAOAMAOBADRA2CLMNAMEN1 | |
| SCHEMBL7662442 | 0.72 | TDP1 (0.41) | LMNAKDM4EGAAMAPTMEN1 | |
| SCHEMBL29676365 | 0.72 | MAOA (0.45) | MAOAMAOBMAPK1HTR2ADRD1 | |
| SCHEMBL9917028 | 0.72 | MAOA (0.45) | MAOAMAOBMAPK1HTR2ADRD1 | |
| SCHEMBL17687121 | 0.70 | NR1H2 (0.53) | MAPK1 | |
| SCHEMBL30878941 | 0.69 | SLC6A2 (0.46) | MAOAMAOBADRA2CLMNAMEN1 | |
| SCHEMBL6785952 | 0.69 | SLC6A2 (0.46) | MAOAMAOBADRA2CLMNAMEN1 | |
| SCHEMBL20648805 | 0.69 | ADRA2C (0.31) | ADRA2C | |
| Hydrochloric Acid SCHEMBL8331557 | 0.68 | SLC6A2 (0.45) | MAOAMAOBADRA2CLMNAMEN1 |
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-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |