Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2544869 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL8278235 | 0.74 | TDP1 (0.43) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL7294193 | 0.74 | TSHR (0.43) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL20124844 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL21326414 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL8426023 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL5549485 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL22475389 | 0.69 | IDO1 (0.38) | ALDH1A1TDP1MAPTIDO1MEN1 | |
| SCHEMBL8757357 | 0.67 | TSHR (0.48) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL11057743 | 0.66 | ALDH1A1 (0.33) | ALDH1A1TDP1HSD17B10CTSDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019101132-A1 | FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2019-05-31 | — | — | WO | disclosed |