Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 11/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | CCKAR | P32238 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648062 | 0.84 | CCKBR (0.75) | CCKBRKCNH2CCKAR | |
| SCHEMBL9470437 | 0.84 | CCKBR (1.00) | CCKBR | |
| L-365260 SCHEMBL1650330 | 0.81 | CCKBR (1.00) | CCKBRKCNH2 | |
| L-365260 SCHEMBL5931098 | 0.81 | CCKBR (1.00) | CCKBRKCNH2 | |
| L-365260 SCHEMBL29403509 | 0.81 | CCKBR (1.00) | CCKBRKCNH2 | |
| L-365260 SCHEMBL9843248 | 0.81 | CCKBR (1.00) | CCKBRKCNH2 | |
| L-365260 SCHEMBL29694194 | 0.81 | CCKBR (1.00) | CCKBRKCNH2 | |
| SCHEMBL9842623 | 0.79 | CCKBR (0.86) | CCKBRKCNH2CCKARCYP3A4MAPT | |
| SCHEMBL8774012 | 0.78 | CCKBR (1.00) | CCKBRCCKARCYP3A4MAPTTSHR | |
| SCHEMBL8537732 | 0.78 | CCKBR (1.00) | CCKBRCCKARCYP3A4MAPTTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0514125-A1 | Triazolobenzodiazepines | MERCK & CO. INC. (US) | 1992-11-19 | — | — | EP | claimed |