Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
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) | CYP2A6MAOAENPP2BACE1ABL1 | |
| Ethoxycarbonyl Group SCHEMBL27792586 | 0.86 | CYP2A6 (0.43) | CYP2A6MAOANLRP3MEN1POLB | |
| Tert-Butyl Formate SCHEMBL27598527 | 0.83 | CYP2A6 (0.43) | CYP2A6MAOANLRP3MEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL27785495 | 0.83 | TYR (0.62) | CYP2A6MAOANLRP3MEN1POLB | |
| SCHEMBL1252105 | 0.82 | TYR (0.55) | CYP2A6NLRP3MEN1POLBMAPK1 | |
| SCHEMBL31241635 | 0.82 | TYR (0.55) | CYP2A6NLRP3MEN1POLBMAPK1 | |
| Ethoxycarbonyl Group SCHEMBL27526972 | 0.81 | CYP2A6 (0.46) | CYP2A6MAOAMEN1POLBMAPK1 | |
| Ethoxycarbonyl Group SCHEMBL28658781 | 0.80 | AHR (0.62) | CYP2A6MAOAMEN1POLBMAPK1 | |
| Ethoxycarbonyl Group SCHEMBL28043664 | 0.80 | CYP2A6 (0.45) | CYP2A6MAOAMEN1POLBMAPK1 | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.80 | AHR (0.62) | CYP2A6MAOAMEN1POLBMAPK1 |
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 |