Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.51 |
| ▸ | TDP2 | O95551 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 4/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.46 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21132327 | 0.87 | ACHE (0.63) | ACHETDP2HTR2AHTR2CHTR2B | |
| SCHEMBL28878592 | 0.85 | ACHE (0.53) | ACHE | |
| SCHEMBL11855191 | 0.80 | TDP2 (0.46) | TDP2HTR2AHTR2CHTR2BAADAT | |
| SCHEMBL569403 | 0.77 | ACHE (0.74) | ACHEHTR2AHTR2CHTR2B | |
| SCHEMBL6641298 | 0.77 | CYP26A1 (0.44) | ACHETDP2HTR2AHTR2CHTR2B | |
| SCHEMBL2484416 | 0.75 | ACHE (0.73) | ACHEHTR2AHTR2CHTR2BPARP10 | |
| SCHEMBL5952403 | 0.75 | ACHE (0.43) | ACHETDP2HTR2AHTR2CHTR2B | |
| SCHEMBL28736086 | 0.75 | KDM4E (0.46) | TDP2HTR2AHTR2CHTR2BCYP26A1 | |
| SCHEMBL5951501 | 0.74 | ACHE (0.49) | ACHETDP2CYP26A1 | |
| SCHEMBL1500072 | 0.74 | METAP1 (0.56) | ACHETDP2PNMTPARP10 |
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-114539055-A | Method for realizing phase transfer catalysis beta-dicarbonyl compound alkylation reaction by using microchannel reactor | 西安近代化学研究所 | 2022-05-27 | — | — | CN | disclosed |