Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726218 | 0.73 | CYP19A1 (0.54) | CYP19A1AKR1B1PTGDR2KDM4ECYP1A2 | |
| Iodide SCHEMBL31305035 | 0.73 | AKR1B1 (0.73) | CYP19A1AKR1B1KDM4ECYP1A2MAPT | |
| Methyl Alcohol SCHEMBL28299530 | 0.71 | AKR1B1 (0.70) | CYP19A1AKR1B1KDM4ECYP1A2MAPT | |
| SCHEMBL30359 | 0.71 | AKR1B1 (0.76) | AKR1B1KDM4ECYP1A2MAPTHPGD | |
| SCHEMBL29410826 | 0.71 | AKR1B1 (0.76) | AKR1B1KDM4ECYP1A2MAPTHPGD | |
| SCHEMBL3736357 | 0.71 | CYP19A1 (0.48) | CYP19A1AKR1B1PTGDR2KDM4ECYP1A2 | |
| SCHEMBL3736113 | 0.70 | CYP19A1 (0.48) | CYP19A1AKR1B1PTGDR2KDM4ECYP11B1 | |
| SCHEMBL28842838 | 0.69 | AKR1B1 (0.73) | AKR1B1KDM4ECYP1A2MAPTHPGD | |
| Hydrochloric Acid SCHEMBL6767821 | 0.69 | AKR1B1 (0.73) | AKR1B1KDM4ECYP1A2MAPTHPGD | |
| Hydrogen Sulfide SCHEMBL27426416 | 0.69 | AKR1B1 (0.73) | AKR1B1KDM4ECYP1A2MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010142652-A1 | IMIDAZOBENZAZEPINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISEASES | GLAXO GROUP LIMITED (GB) | 2010-12-16 | — | — | WO | disclosed |