Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | NLN | Q9BYT8 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28550723 | 1.00 | CYP3A4 (0.52) | CYP3A4SLC7A5LTA4HNLN | |
| Sulfuric Acid SCHEMBL9797625 | 0.83 | CYP3A4 (0.61) | CYP3A4SLC7A5 | |
| SCHEMBL1007042 | 0.82 | CYP3A4 (0.61) | CYP3A4SLC7A5LTA4HNLN | |
| Sulfuric Acid SCHEMBL28796991 | 0.82 | CYP3A4 (0.61) | CYP3A4SLC7A5 | |
| SCHEMBL1537285 | 0.82 | CYP3A4 (0.71) | CYP3A4SLC7A5 | |
| SCHEMBL163444 | 0.82 | CYP3A4 (0.71) | CYP3A4SLC7A5 | |
| Hydrochloric Acid SCHEMBL28331180 | 0.80 | CYP3A4 (0.69) | CYP3A4SLC7A5 | |
| Sulfuric Acid SCHEMBL11052847 | 0.79 | CYP3A4 (0.57) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL28090262 | 0.77 | CYP3A4 (0.57) | CYP3A4SLC7A5LTA4HNLN | |
| SCHEMBL28231837 | 0.77 | CYP3A4 (0.57) | CYP3A4SLC7A5LTA4HNLN |
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-107641130-B | Preparation method of D-sulbenicillin sodium | 中国医药集团总公司四川抗菌素工业研究所 | 2020-05-29 | — | — | CN | claimed |
| CN-107641130-B | Preparation method of D-sulbenicillin sodium | 中国医药集团总公司四川抗菌素工业研究所 | 2020-05-29 | — | — | CN | disclosed |