Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8095300 | 0.88 | CYP3A4 (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19OPRM1 | |
| SCHEMBL8098096 | 0.79 | CES2 (0.35) | ALDH1A1TSHR | |
| SCHEMBL8090119 | 0.79 | CAPN1 (0.33) | ALDH1A1 | |
| SCHEMBL8091511 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1 | |
| SCHEMBL8098095 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19OPRM1 | |
| SCHEMBL7433844 | 0.70 | F2 (0.37) | ALDH1A1 | |
| SCHEMBL8098063 | 0.69 | CES2 (0.37) | ALDH1A1 | |
| SCHEMBL7438577 | 0.68 | TACR3 (0.31) | ALDH1A1CYP3A4CYP2C9CYP2C19TACR3 | |
| SCHEMBL8095146 | 0.64 | F2 (0.37) | — | |
| SCHEMBL8090174 | 0.63 | F2 (0.39) | CYP3A4CYP2C19TACR3 |
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 |