Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1280222 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRAOC3CA2CYP2C19 | |
| SCHEMBL6827619 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TSHRAOC3CA2MGLL | |
| SCHEMBL1231125 | 0.70 | ALDH1A1 (0.55) | ALDH1A1TSHRAOC3CA2CALM1 | |
| SCHEMBL7867637 | 0.70 | ALDH1A1 (0.55) | ALDH1A1TSHRAOC3CA2CALM1 | |
| SCHEMBL134524 | 0.69 | TSHR (0.60) | ALDH1A1TSHRAOC3CA2CALM1 | |
| SCHEMBL3271148 | 0.69 | TSHR (0.60) | ALDH1A1TSHRAOC3CA2CALM1 | |
| Hydrochloric Acid SCHEMBL9576094 | 0.69 | ALDH1A1 (0.52) | ALDH1A1TSHRAOC3CA2CALM1 | |
| Bromide SCHEMBL6760453 | 0.67 | CNR2 (0.58) | ALDH1A1TSHRAOC3CA2CALM1 | |
| Fluoride SCHEMBL633879 | 0.67 | CNR2 (0.58) | ALDH1A1TSHRAOC3CA2CALM1 | |
| Hydrochloric Acid SCHEMBL2137949 | 0.67 | CNR2 (0.58) | ALDH1A1TSHRAOC3CA2CALM1 |
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-109666044-B | Organophosphorus compound based on [2.2] p-cyclophane alkyl skeleton and intermediate, preparation method and application thereof | 浙江大学 | 2021-03-05 | — | — | CN | disclosed |