Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 3/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28291607 | 0.89 | CYP2A6 (0.43) | CYP2A6MAOAHDAC1HDAC8ABL1 | |
| SCHEMBL29445647 | 0.84 | AHR (0.50) | CYP2A6MAOAHDAC1HDAC8AHR | |
| SCHEMBL763201 | 0.84 | AHR (0.50) | CYP2A6MAOAHDAC1HDAC8AHR | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.84 | CYP2A6 (0.46) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27650371 | 0.82 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.82 | GAA (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.82 | CYP2A6 (0.45) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.82 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27613736 | 0.82 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| SCHEMBL27705128 | 0.81 | CYP2A6 (0.50) | CYP2A6MAOAHDAC1HDAC8AHR |
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-105392787-A | Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection | HOFFMANN LA ROCHE | 2016-03-09 | — | — | CN | disclosed |