Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 3/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 SCHEMBL28293146 | 0.89 | CYP2A6 (0.43) | CYP2A6MAOAMAPTAHRNPSR1 | |
| Ethoxycarbonyl Group SCHEMBL27691273 | 0.88 | KIF11 (0.44) | CYP2A6MAOAMAPTAHRTHRA | |
| SCHEMBL762037 | 0.82 | AHR (0.50) | CYP2A6MAPTAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.81 | CYP2A6 (0.46) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27613736 | 0.80 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.80 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.80 | GAA (0.62) | CYP2A6MAOAMAPTAHRNR4A2 | |
| Ethoxycarbonyl Group SCHEMBL28038686 | 0.80 | CYP2A6 (0.45) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27650371 | 0.80 | AHR (0.62) | CYP2A6MAOAAHRNR4A2F7 | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.80 | CYP2A6 (0.45) | CYP2A6MAOAMAPTAHRNR4A2 |
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-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |