Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.39 |
| ▸ | NQO2 | P16083 | 3/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30932922 | 0.87 | HTR2A (0.46) | HTR2CHTR2AHTR2BMTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL5431235 | 0.86 | HTR2A (0.45) | HTR2CHTR2AHTR2BMTNR1AMTNR1B | |
| SCHEMBL1520733 | 0.80 | SIRT1 (0.45) | SIRT1MTNR1AMTNR1BNQO2 | |
| Hydrochloric Acid SCHEMBL17965621 | 0.78 | HTR2C (0.50) | HTR2CHTR2AHTR2BCHRNB2CHRNB4 | |
| SCHEMBL19748926 | 0.78 | HTR2A (0.42) | HTR2CHTR2AHTR2BHSPA1APTPN7 | |
| SCHEMBL1842495 | 0.78 | MTNR1A (0.56) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL30746730 | 0.78 | MTNR1A (0.56) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL3749345 | 0.77 | HSPA1A (0.51) | HTR2CHTR2AHTR2BHSPA1APTPN7 | |
| Hydrochloric Acid SCHEMBL9628615 | 0.77 | MTNR1A (0.54) | MTNR1AMTNR1BNQO2 | |
| SCHEMBL16624059 | 0.76 | HTR2C (0.51) | HTR2CHTR2AHTR2BCHRNB2CHRNB4 |
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-B1 | Isoquinoline derivatives, process for their preparation and use thereof in the treatment of melatoninergic system problems | SERVIER LAB (FR) | 2007-11-07 | — | — | EP | disclosed |
| 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 |