Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8963126 | 1.00 | MAOB (0.44) | MAOBKCNH2TAAR1TRPA1DRD4 | |
| SCHEMBL8962964 | 0.96 | MAOB (0.47) | MAOBKCNH2TAAR1TRPA1DRD4 | |
| SCHEMBL8962950 | 0.96 | MAOB (0.47) | MAOBKCNH2TAAR1TRPA1DRD4 | |
| SCHEMBL8963043 | 0.91 | MAOB (0.44) | MAOBKCNH2TRPA1 | |
| SCHEMBL8963039 | 0.91 | MAOB (0.44) | MAOBKCNH2TRPA1 | |
| SCHEMBL9450900 | 0.89 | MAOB (0.42) | MAOBKCNH2TRPA1DRD4 | |
| SCHEMBL8963365 | 0.86 | MAOB (0.33) | MAOBTAAR1 | |
| SCHEMBL8963370 | 0.86 | MAOB (0.33) | MAOBTAAR1 | |
| SCHEMBL8962951 | 0.85 | GPR84 (0.33) | MAOB | |
| SCHEMBL21581461 | 0.84 | MAOB (0.55) | MAOBKCNH2TAAR1 |
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 |