Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 SCHEMBL28291595 | 0.89 | CYP2A6 (0.43) | CYP2A6MAOABACE1ENPP2CCNC | |
| Ethoxycarbonyl Group SCHEMBL28038686 | 0.89 | CYP2A6 (0.45) | CYP2A6MAOAHDAC1HDAC8USP2 | |
| Tert-Butyl Formate SCHEMBL28290005 | 0.83 | CYP2A6 (0.43) | CYP2A6MAOAHDAC1HDAC8USP2 | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.83 | GAA (0.62) | CYP2A6MAOAUSP2GAAALOX15 | |
| SCHEMBL951685 | 0.82 | USP2 (0.55) | CYP2A6MAOAHDAC1HDAC8USP2 | |
| SCHEMBL30614296 | 0.82 | USP2 (0.55) | CYP2A6MAOAHDAC1HDAC8USP2 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.81 | CYP2A6 (0.46) | CYP2A6MAOAUSP2GAAALOX15 | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.80 | CYP2A6 (0.45) | CYP2A6MAOAUSP2GAAALOX15 | |
| Ethoxycarbonyl Group SCHEMBL27650371 | 0.80 | AHR (0.62) | CYP2A6MAOAUSP2GAAALOX15 | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.80 | AHR (0.62) | CYP2A6MAOAUSP2GAAALOX15 |
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 2 patents. 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 |
| CN-1505613-A | Substituted indoles, pharmaceutical compositions containing such indoles and their use as ppar-gamma binding agents | ʷ��˿�������ȳ�ķ����˾ | 2004-06-16 | — | — | CN | disclosed |