Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
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 SCHEMBL28014284 | 0.89 | TLR9 (0.40) | CYP2A6CHRM1DRD2KCNH2SLC6A2 | |
| SCHEMBL3307955 | 0.83 | NPC1 (0.47) | EPHX1CYP2A6CHRM1DRD2KCNH2 | |
| SCHEMBL8995188 | 0.81 | AHR (0.46) | EPHX1CYP2A6CHRM1DRD2KCNH2 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.76 | CYP2A6 (0.46) | CYP2A6RAB9AMAOA | |
| Ethoxycarbonyl Group SCHEMBL27613736 | 0.75 | AHR (0.62) | CYP2A6NPC1MAOA | |
| Ethoxycarbonyl Group SCHEMBL27597884 | 0.75 | GAA (0.62) | CYP2A6MAPTRAB9AMAOABACE1 | |
| Ethoxycarbonyl Group SCHEMBL27447133 | 0.75 | AHR (0.62) | CYP2A6KCNH2NPC1RAB9AMAOA | |
| Ethoxycarbonyl Group SCHEMBL28038686 | 0.75 | CYP2A6 (0.45) | CYP2A6MAOABACE1 | |
| Ethoxycarbonyl Group SCHEMBL27650371 | 0.75 | AHR (0.62) | CYP2A6MAOA | |
| Ethoxycarbonyl Group SCHEMBL27648955 | 0.75 | CYP2A6 (0.45) | CYP2A6MAPTMAOABACE1 |
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 |