Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.58 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.58 |
| ▸ | CCNC | P24863 | 3/20 | 0.49 |
| ▸ | CDK8 | P49336 | 3/20 | 0.49 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27528912 | 0.87 | NPC1 (0.65) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Ethoxycarbonyl Group SCHEMBL28015039 | 0.85 | MMP2 (0.51) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Ethoxycarbonyl Group SCHEMBL28767000 | 0.84 | CCNC (0.49) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| SCHEMBL3956542 | 0.82 | CYP17A1 (0.76) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Tert-Butyl Formate SCHEMBL27528608 | 0.81 | NPC1 (0.56) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Ethoxycarbonyl Group SCHEMBL27637863 | 0.80 | CCNC (0.43) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.78 | CYP2A6 (0.46) | CCNCCDK8CA12CA9 | |
| Ethoxycarbonyl Group SCHEMBL28038686 | 0.77 | CYP2A6 (0.45) | CYP17A1CYP11B1CYP11B2CCNCCDK8 | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.77 | CYP2A6 (0.45) | CCNCCDK8CHRNB4CHRNA3CHRNA7 | |
| Ethoxycarbonyl Group SCHEMBL27650371 | 0.77 | AHR (0.62) | CCNCCDK8S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104640853-A | Indole-amide compounds as beta-amyloid inhibitors | HOFFMANN LA ROCHE | 2015-05-20 | — | — | CN | disclosed |