Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.50 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL578518 | 1.00 | AHR (0.56) | AHRPARP1MAOBGRIA1CACNG8 | |
| SCHEMBL7349900 | 0.86 | AHR (0.53) | AHRMAOBGRIA1CACNG8PDE3B | |
| SCHEMBL4509576 | 0.86 | AHR (0.56) | AHRPARP1MAOBGRIA1CACNG8 | |
| SCHEMBL8670836 | 0.85 | AHR (0.59) | AHRMAOBGRIA1CACNG8PDE3B | |
| SCHEMBL2056365 | 0.84 | KIF11 (0.66) | PARP1MAOBPDE3BPDE3AKIF11 | |
| SCHEMBL12670856 | 0.84 | PARP1 (0.57) | AHRPARP1MAOBGRIA1CACNG8 | |
| SCHEMBL689189 | 0.83 | AHR (0.50) | AHRMAOBGRIA1CACNG8PDE3B | |
| SCHEMBL1460158 | 0.82 | AHR (0.49) | AHRMAOBGRIA1CACNG8PDE3B | |
| SCHEMBL12125841 | 0.82 | PARP1 (0.46) | AHRPARP1MAOBGRIA1CACNG8 | |
| SCHEMBL24570672 | 0.82 | AHR (0.61) | AHRMAOBGRIA1CACNG8PDE3B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1007505-B1 | CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES | NOVARTIS AG (CH) | 2003-04-16 | — | — | EP | disclosed |