Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | STS | P08842 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141341 | 0.83 | SCN9A (0.47) | SCN9AADORA2AADORA1STSHSD11B1 | |
| SCHEMBL23040806 | 0.82 | DRD2 (0.37) | ADORA2AADORA1STSDRD2HTR1D | |
| SCHEMBL7144489 | 0.76 | DRD2 (0.42) | STSHSD11B1DRD2HTR1DDRD3 | |
| SCHEMBL28741449 | 0.71 | ADORA2A (0.37) | ADORA2AADORA1HSD11B1DRD2HTR1D | |
| Adamantane SCHEMBL28719949 | 0.71 | CA2 (0.45) | DRD2DRD3 | |
| SCHEMBL23054300 | 0.70 | DRD2 (0.34) | DRD2DRD3 | |
| SCHEMBL28540551 | 0.70 | DRD2 (0.46) | SCN9ADRD2HTR1DDRD3 | |
| SCHEMBL4896010 | 0.69 | MEN1 (0.38) | ADORA2AADORA1HSD11B1DRD2HTR1D | |
| SCHEMBL926505 | 0.69 | CA2 (0.41) | ADORA2AADORA1HSD11B1DRD2HTR1D | |
| SCHEMBL8444519 | 0.68 | ADORA2A (0.49) | ADORA2AADORA1HTR1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |
| US-6482986-B1 | Benzene derivatives, preparation method and pharmaceutical compositions containing same | SANOFI-SYNTHELABO (FR) | 2002-11-19 | — | — | US | disclosed |
| EP-1192122-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076953-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2000-12-21 | — | — | WO | disclosed |