Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.42 |
| ▸ | EED | O75530 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12352442 | 0.85 | HTR2A (0.50) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL13146592 | 0.83 | HTR2A (0.46) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL12467354 | 0.81 | PARP1 (0.51) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL24873061 | 0.79 | KCNH2 (0.52) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL10275022 | 0.79 | PARP1 (0.45) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL8747037 | 0.78 | PARP1 (0.47) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL512639 | 0.78 | PARP1 (0.47) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL1150915 | 0.78 | PARP1 (0.51) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL3287609 | 0.78 | PARP1 (0.47) | HTR2AHTR2CPARP1KCNH2SLC6A2 | |
| SCHEMBL1150770 | 0.78 | PARP1 (0.51) | HTR2AHTR2CPARP1KCNH2SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010066847-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | CELLVIR (FR) | 2010-06-17 | — | — | WO | disclosed |
| EP-2196453-A1 | Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents | Cellvir (FR) | 2010-06-16 | — | — | EP | disclosed |
| WO-2008006648-A1 | SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS | GLAXO GROUP LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |