Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 17/20 | 0.68 |
| ▸ | MTNR1B | P49286 | 15/20 | 0.68 |
| ▸ | NQO2 | P16083 | 13/20 | 0.68 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5425189 | 0.99 | MTNR1A (0.67) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL5180648 | 0.84 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL5180707 | 0.84 | MTNR1A (0.65) | MTNR1AMTNR1BNQO2HTR2C | |
| Hydrochloric Acid SCHEMBL5430693 | 0.83 | MTNR1A (0.64) | MTNR1AMTNR1BNQO2HTR2C | |
| Hydrochloric Acid SCHEMBL5430370 | 0.83 | MTNR1A (0.61) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL5181042 | 0.82 | MTNR1A (0.60) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL4685402 | 0.81 | MTNR1A (1.00) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL4685396 | 0.81 | MTNR1A (1.00) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL7950293 | 0.81 | MTNR1A (1.00) | MTNR1AMTNR1BNQO2HTR2C | |
| SCHEMBL14493795 | 0.80 | MTNR1A (0.62) | MTNR1AMTNR1BNQO2HTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1466604-A1 | Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems | Les Laboratoires Servier (FR) | 2004-10-13 | — | — | EP | disclosed |
| CN-1535957-A | New isoquinoline compounds, their preparation method and medicine composition contaning them | ɪά��ʵ���� | 2004-10-13 | — | — | CN | disclosed |