Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22922181 | 0.85 | CYP4F2 (0.59) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL14441123 | 0.84 | ALDH1A1 (0.55) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL17966287 | 0.82 | CYP4F2 (0.58) | CYP4F2CYP4A11ALDH1A1LMNAMAPT | |
| SCHEMBL28444055 | 0.81 | ADRB2 (0.47) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL2723440 | 0.80 | CYP11B1 (0.57) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL3284120 | 0.80 | ADRB2 (0.46) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL15773045 | 0.79 | BCHE (0.48) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL8508610 | 0.78 | CYP4F2 (0.53) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL2569441 | 0.78 | L3MBTL1 (0.55) | ADRB2ADRB1CYP4F2CYP4A11F2RL1 | |
| SCHEMBL21895728 | 0.78 | FFAR1 (0.59) | LMNA |
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-111574322-A | Preparation method of difluoromethyl aromatic compound | 南京工业大学 | 2020-08-25 | — | — | CN | disclosed |