Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962983 | 1.00 | NQO1 (0.42) | NQO1MAOAMAOBMAPTTSHR | |
| SCHEMBL8963401 | 0.96 | NQO1 (0.39) | NQO1MAOAMAOBMAPTTSHR | |
| SCHEMBL8962695 | 0.96 | NQO1 (0.39) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL8962700 | 0.96 | NQO1 (0.39) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL9450823 | 0.93 | RAB9A (0.41) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL8963198 | 0.93 | CYP2C9 (0.37) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL8963193 | 0.93 | CYP2C9 (0.37) | NQO1MAOAMAOBMAPTRAB9A | |
| SCHEMBL8962839 | 0.88 | RAB9A (0.49) | MAOAMAOBRAB9ADRD2KMT2A | |
| SCHEMBL8962847 | 0.88 | RAB9A (0.49) | MAOAMAOBRAB9ADRD2KMT2A | |
| SCHEMBL8963282 | 0.88 | RAB9A (0.43) | MAOAMAOBMAPTRAB9ADRD2 |
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 2 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 |