Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | FOS | P01100 | 1/20 | 0.30 |
| ▸ | JUN | P05412 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL8962673 | 1.00 | HDAC1 (0.32) | HDAC1HDAC6HDAC5KMT2ANQO1 | |
| SCHEMBL8962861 | 0.88 | CYP1A2 (0.33) | HDAC1HDAC6HDAC5 | |
| SCHEMBL8962855 | 0.88 | CYP1A2 (0.33) | HDAC1HDAC6HDAC5 | |
| SCHEMBL8963128 | 0.86 | XDH (0.38) | KMT2ANQO1CACNA2D1 | |
| SCHEMBL8962622 | 0.84 | AOC3 (0.32) | — | |
| SCHEMBL8962618 | 0.84 | AOC3 (0.32) | — | |
| SCHEMBL8962927 | 0.81 | PDE8B (0.31) | — | |
| SCHEMBL8962934 | 0.81 | PDE8B (0.31) | — | |
| SCHEMBL8963235 | 0.81 | AVPR1A (0.31) | — | |
| SCHEMBL8962782 | 0.81 | NQO1 (0.35) | KMT2ANQO1CACNA2D1 |
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 |