Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 12/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CCKAR | P32238 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NOTCH1 | P46531 | 2/20 | 0.33 |
| ▸ | RBPJ | Q06330 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | NOTCH3 | Q9UM47 | 1/20 | 0.33 |
| ▸ | GSAP | A4D1B5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7163376 | 0.92 | CCKBR (0.39) | CCKBRCYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL7192961 | 0.81 | NOTCH1 (0.41) | CCKBRCCKARSCN9ANOTCH1NOTCH3 | |
| SCHEMBL6006712 | 0.80 | CCKBR (0.64) | CCKBRCCKARSCN9AKCNH2 | |
| SCHEMBL7186767 | 0.80 | CCKBR (0.41) | CCKBRSCN9ANOTCH1RBPJKCNH2 | |
| SCHEMBL7167057 | 0.75 | PSEN1 (0.38) | CCKBRMEN1KMT2ANOTCH1RBPJ | |
| SCHEMBL7168082 | 0.75 | NOTCH1 (0.41) | CCKBRNOTCH1KCNH2NOTCH3GSAP | |
| SCHEMBL7169709 | 0.74 | PSEN1 (0.45) | SCN9AGSAP | |
| SCHEMBL7194424 | 0.73 | PSEN1 (0.52) | CCKBRKCNH2 | |
| SCHEMBL6005003 | 0.72 | CCKBR (0.62) | CCKBRCCKARSCN9AKCNH2 | |
| SCHEMBL7193604 | 0.72 | CCKBR (0.40) | CCKBRCCKARSCN9ANOTCH1RBPJ |
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-1294702-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090084-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |