Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | DHPS | P49366 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9381489 | 0.78 | GABRA1 (0.39) | ALDH1A1MAPTJAK2GABRA1GABRG2 | |
| SCHEMBL8773953 | 0.75 | CCNE2 (0.44) | JAK2GABRA1GABRA5GABRA3GABRA2 | |
| SCHEMBL7834014 | 0.75 | CCNE2 (0.44) | ALDH1A1MAPTHPGDJAK2GABRA1 | |
| SCHEMBL7428220 | 0.70 | PDPK1 (0.39) | ALDH1A1CYP2A6JAK2GAA | |
| SCHEMBL10373876 | 0.69 | AKT1 (0.42) | CYP1A2CYP2A6MAPTLMNAGAA | |
| SCHEMBL7878551 | 0.68 | CYP2A6 (0.45) | CYP11B1CYP11B2CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL6142143 | 0.68 | CYP11B1 (0.63) | CYP11B1CYP11B2CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL2782043 | 0.66 | NOS2 (0.39) | CYP1A2ALDH1A1JAK2GABRA1GABRG2 | |
| SCHEMBL20541087 | 0.66 | CYP2A6 (0.70) | CYP11B1CYP11B2CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL30026143 | 0.66 | CYP2A6 (0.70) | CYP11B1CYP11B2CYP1A2ALDH1A1CYP3A4 |
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-0628033-A1 | BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1994-12-14 | — | — | EP | disclosed |