Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL8963272 | 0.96 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4CHRNA1CHRNG | |
| SCHEMBL8963266 | 0.96 | SLC6A3 (0.35) | SLC6A3SLC6A2SLC6A4CHRNA1CHRNG | |
| SCHEMBL13417695 | 0.87 | SLC6A3 (0.33) | SLC6A3SLC6A2SLC6A4CHRNA1CHRNG | |
| SCHEMBL8962654 | 0.87 | KDM1A (0.34) | HDAC2 | |
| SCHEMBL8962838 | 0.85 | SLC6A3 (0.39) | SLC6A3RIPK1RXRAGRIN1GRIN2B | |
| SCHEMBL8962846 | 0.85 | SLC6A3 (0.39) | SLC6A3RIPK1RXRAGRIN1GRIN2B | |
| SCHEMBL8963293 | 0.84 | SLC6A2 (0.33) | SLC6A3SLC6A2SLC6A4RIPK1HDAC2 | |
| SCHEMBL8963055 | 0.84 | — | — | |
| SCHEMBL8962935 | 0.83 | KDM1A (0.41) | HDAC2 | |
| SCHEMBL4331522 | 0.83 | SLC6A3 (0.36) | SLC6A3SLC6A2SLC6A4CHRNA1CHRNG |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0559860-A1 | HALOVINYL-DERIVATIVES. | HOFFMANN LA ROCHE (CH) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |