Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.34 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.34 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 3/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL39297 | 0.79 | CA12 (0.48) | ALDH1A1RAB9AKDM4EACE2TSHR | |
| SCHEMBL1356395 | 0.79 | ACE2 (0.54) | ALDH1A1RAB9AKDM4EACE2PPARA | |
| SCHEMBL10821986 | 0.78 | RORC (0.54) | ALDH1A1RAB9AKDM4ETSHRPPARG | |
| SCHEMBL27888029 | 0.78 | ALDH1A1 (0.44) | ALDH1A1RAB9AKDM4EACE2PPARA | |
| SCHEMBL3201674 | 0.78 | KDM4E (0.43) | ALDH1A1RAB9AKDM4EACE2AKR1C2 | |
| SCHEMBL27904829 | 0.78 | ALDH1A1 (0.44) | ALDH1A1RAB9AKDM4EACE2PPARA | |
| SCHEMBL1985350 | 0.75 | AKR1C3 (0.47) | ALDH1A1RAB9AKDM4EAKR1C2AKR1C1 | |
| SCHEMBL1712181 | 0.73 | NR1H4 (0.50) | ALDH1A1KDM4EPPARAKLKB1CTSB | |
| Bromide SCHEMBL1596585 | 0.73 | TSHR (0.57) | ALDH1A1TSHRKLKB1CTSBMMP9 | |
| SCHEMBL21961149 | 0.73 | TSHR (0.57) | ALDH1A1KDM4EPPARATSHRMEN1 |
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-113372215-A | Novel esterification method for synthesizing p-halomethyl benzoate | 吉林大学 | 2021-09-10 | — | — | CN | disclosed |