Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8091498 | 0.89 | CYP1A2 (0.32) | HDAC3HDAC6NCOR2CYP1A2TSHR | |
| SCHEMBL8091664 | 0.85 | POLB (0.33) | SPHK2SPHK1 | |
| SCHEMBL8083552 | 0.85 | CTSB (0.33) | CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL8090161 | 0.83 | SPHK1 (0.33) | SPHK2SPHK1 | |
| SCHEMBL8095325 | 0.82 | POLB (0.33) | — | |
| SCHEMBL8095265 | 0.79 | SMYD3 (0.48) | CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL8098109 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL8095242 | 0.72 | SPHK1 (0.32) | SPHK2SPHK1 | |
| SCHEMBL8097998 | 0.72 | SPHK1 (0.35) | SPHK2SPHK1 | |
| SCHEMBL8083495 | 0.72 | CTSB (0.35) | — |
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-0792883-B1 | Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 2000-12-20 | — | — | EP | disclosed |
| EP-0792883-A1 | Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1997-09-03 | — | — | EP | disclosed |