Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.58 |
| ▸ | CALCA | P06881 | 19/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23748868 | 1.00 | CYP3A4 (0.58) | CYP3A4CALCRLCALCA | |
| SCHEMBL5660417 | 1.00 | CYP3A4 (0.58) | CYP3A4CALCRLCALCA | |
| SCHEMBL5658602 | 0.96 | CALCA (0.56) | CYP3A4CALCRLCALCA | |
| SCHEMBL5661665 | 0.96 | CALCRL (0.56) | CYP3A4CALCRLCALCA | |
| Trifluoroacetic Acid SCHEMBL31430917 | 0.94 | CYP3A4 (0.53) | CYP3A4CALCRLCALCA | |
| Trifluoroacetic Acid SCHEMBL31180093 | 0.94 | CYP3A4 (0.53) | CYP3A4CALCRLCALCA | |
| SCHEMBL5658251 | 0.93 | CALCA (0.56) | CYP3A4CALCRLCALCA | |
| SCHEMBL3605516 | 0.92 | CALCRL (0.57) | CALCRLCALCA | |
| SCHEMBL5660491 | 0.91 | CALCA (0.53) | CALCRLCALCA | |
| SCHEMBL4862077 | 0.90 | CYP3A4 (0.48) | CYP3A4CALCRLCALCA |
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-117551081-A | New preparation method of migraine therapeutic drug | 北京康立生医药技术开发有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-117551081-A | New preparation method of migraine therapeutic drug | 北京康立生医药技术开发有限公司 | 2024-02-13 | — | — | CN | disclosed |