Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 11/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27965809 | 0.81 | CYP2A6 (0.35) | NR4A2 | |
| SCHEMBL27771264 | 0.81 | HTR2A (0.44) | ALDH1A1NR4A2GAANPSR1KMT2A | |
| SCHEMBL27369292 | 0.80 | GPR84 (0.44) | ALDH1A1ATMNR4A2KMT2A | |
| SCHEMBL27906752 | 0.79 | FFAR1 (0.43) | — | |
| SCHEMBL27524231 | 0.79 | NR4A2 (0.46) | NR4A2GAA | |
| SCHEMBL28291599 | 0.78 | POLB (0.37) | ALDH1A1GAAKMT2A | |
| SCHEMBL28678155 | 0.77 | HTR2A (0.45) | NPSR1KMT2A | |
| SCHEMBL27908791 | 0.76 | HTR2A (0.35) | ALDH1A1IRAK4KMT2A | |
| SCHEMBL28818816 | 0.75 | SLC6A4 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL27704230 | 0.74 | BACE1 (0.40) | ALDH1A1GAANPSR1KMT2A |
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 |