Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MMP14 | P50281 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.49 |
| ▸ | CCNC | P24863 | 3/20 | 0.48 |
| ▸ | CDK8 | P49336 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.43 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
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 SCHEMBL28014965 | 0.85 | CYP17A1 (0.58) | MMP2MMP13MMP14CYP11B2CYP11B1 | |
| Ethoxycarbonyl Group SCHEMBL27528912 | 0.85 | NPC1 (0.65) | CYP11B2CYP11B1CCNCCDK8NPC1 | |
| Ethoxycarbonyl Group SCHEMBL28767000 | 0.85 | CCNC (0.49) | CYP11B2CYP11B1CYP19A1CCNCCDK8 | |
| SCHEMBL6657347 | 0.83 | NPC1 (0.64) | CYP11B2CYP11B1CYP19A1CCNCCDK8 | |
| Tert-Butyl Formate SCHEMBL27528608 | 0.79 | NPC1 (0.56) | CYP11B2CYP11B1CCNCCDK8NPC1 | |
| Ethoxycarbonyl Group SCHEMBL27637863 | 0.79 | CCNC (0.43) | CYP11B2CYP11B1CCNCCDK8CYP17A1 | |
| Ethoxycarbonyl Group SCHEMBL27647387 | 0.76 | CCNC (0.43) | CYP11B2CYP11B1CCNCCDK8CYP17A1 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.74 | CYP2A6 (0.46) | CCNCCDK8NR4A2 | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.73 | GAA (0.62) | CCNCCDK8NR4A2 | |
| Ethoxycarbonyl Group SCHEMBL27613736 | 0.73 | AHR (0.62) | NPC1NR4A2 |
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 |