Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28464794 | 0.98 | CA12 (0.37) | CA12CA14DGAT1LTA4HNOS1 | |
| SCHEMBL569252 | 0.92 | NOS1 (0.39) | CA12DGAT1LTA4HNOS1NOS3 | |
| Hydrochloric Acid SCHEMBL20243055 | 0.90 | NOS1 (0.38) | CA12DGAT1LTA4HNOS1NOS3 | |
| SCHEMBL8634133 | 0.89 | CA12 (0.36) | CA12CA14DGAT1LTA4HNOS1 | |
| SCHEMBL8639283 | 0.88 | LTA4H (0.41) | CA12CA14DGAT1LTA4HNOS1 | |
| SCHEMBL3594439 | 0.88 | LTA4H (0.41) | CA12CA14DGAT1LTA4HNOS1 | |
| Hydrochloric Acid SCHEMBL4910187 | 0.86 | LTA4H (0.40) | CA12CA14DGAT1LTA4HNOS1 | |
| SCHEMBL8894673 | 0.85 | SMN1; SMN2 (0.42) | CA14LTA4HCA2CA1KIF11 | |
| SCHEMBL6985035 | 0.85 | LTA4H (0.40) | CA12CA14DGAT1LTA4HNOS1 | |
| SCHEMBL7199828 | 0.84 | SLC7A5 (0.48) | SLC1A1SLC7A5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232617-B | Polymyxin derivatives and their use in combination therapy with different antibiotics | 云顶新耀医药科技有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-106232617-A | Polymyxin derivatives and their use in combination therapy with different antibiotics | 新药物许可控股有限公司 | 2016-12-14 | — | — | CN | disclosed |
| CN-1484526-A | Perturbing membrane-binding compounds | NST� �������˾ | 2004-03-24 | — | — | CN | disclosed |