Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.45 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1640061 | 0.79 | TSHR (0.58) | TSHRALDH1A1AOC3CYP2C19SMN1; SMN2 | |
| SCHEMBL4628462 | 0.78 | KMT2A (0.51) | TSHRALDH1A1NR1H2NR1H3CYP2C19 | |
| SCHEMBL31481619 | 0.77 | TSHR (0.56) | TSHRALDH1A1AOC3NR1H2NR1H3 | |
| SCHEMBL3736957 | 0.76 | ALDH1A1 (0.48) | TSHRALDH1A1AOC3NR1H2NR1H3 | |
| SCHEMBL11249019 | 0.76 | TSHR (0.54) | TSHRALDH1A1AOC3NR1H2NR1H3 | |
| SCHEMBL20844585 | 0.76 | AOC3 (0.56) | TSHRALDH1A1AOC3CYP2C19KDM4E | |
| SCHEMBL27258851 | 0.76 | TSHR (0.54) | TSHRALDH1A1AOC3NR1H2NR1H3 | |
| SCHEMBL4079504 | 0.75 | ALDH1A1 (0.67) | TSHRALDH1A1AOC3CYP2C19KDM4E | |
| Iodide SCHEMBL29093986 | 0.74 | ALDH1A1 (0.46) | TSHRALDH1A1AOC3NR1H2NR1H3 | |
| SCHEMBL20740838 | 0.74 | ALDH1A1 (0.46) | TSHRALDH1A1AOC3NR1H2NR1H3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293569-B | Method for preparing formamide derivative through amine transfer reaction without participation of catalyst | 湘潭大学 | 2021-08-06 | — | — | CN | claimed |
| CN-109293569-A | A method of the amine reaction that turns that no catalyst participates in prepares carboxamides derivatives | 湘潭大学 | 2019-02-01 | — | — | CN | claimed |
| CN-111320591-B | Method for synthesizing chiral gamma-amino alcohol | 陕西师范大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-109293569-B | Method for preparing formamide derivative through amine transfer reaction without participation of catalyst | 湘潭大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-111320591-A | Method for synthesizing chiral gamma-amino alcohol | 陕西师范大学 | 2020-06-23 | — | — | CN | disclosed |
| CN-109293569-A | A method of the amine reaction that turns that no catalyst participates in prepares carboxamides derivatives | 湘潭大学 | 2019-02-01 | — | — | CN | disclosed |