Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973 | 0.97 | KIF11 (0.48) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| Bromide SCHEMBL28557682 | 0.94 | KIF11 (0.46) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL28556207 | 0.94 | KIF11 (0.46) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL23726528 | 0.94 | KIF11 (0.46) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| SCHEMBL28297324 | 0.94 | KIF11 (0.46) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| Formaldehyde SCHEMBL27751011 | 0.88 | KIF11 (0.43) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| SCHEMBL396515 | 0.86 | KIF11 (0.41) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| Ethylene Glycol SCHEMBL11275979 | 0.84 | KIF11 (0.45) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| SCHEMBL1764124 | 0.82 | KIF11 (0.43) | KIF11MAPK1KCNN4TSHRALDH1A1 | |
| SCHEMBL28958532 | 0.82 | ESR1 (0.58) | KIF11TSHRALDH1A1ALOX15CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103087037-B | Liquid crystalline cpd containing the sub-methoxyl group linking group of DOX and difluoro and preparation method thereof and application | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2015-08-19 | — | — | CN | disclosed |
| CN-103087037-A | Liquid crystal compound containing 1, 3-dioxolane and difluoro-methylenedioxy linking group and preparation method and application of liquid crystal compound | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD | 2013-05-08 | — | — | CN | disclosed |