Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.72 |
| ▸ | CALCA | P06881 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13283630 | 0.90 | CALCRL (0.78) | CALCRLCYP3A4CALCA | |
| SCHEMBL3595868 | 0.89 | CALCRL (0.80) | CALCRLCYP3A4CALCA | |
| SCHEMBL3595863 | 0.89 | CALCRL (0.80) | CALCRLCYP3A4CALCA | |
| SCHEMBL13080990 | 0.88 | CALCRL (0.73) | CALCRLCYP3A4CALCA | |
| SCHEMBL13081147 | 0.87 | CALCRL (0.73) | CALCRLCYP3A4CALCA | |
| SCHEMBL14305554 | 0.87 | CALCRL (0.62) | CALCRLCYP3A4CALCA | |
| SCHEMBL13081149 | 0.87 | CALCRL (0.73) | CALCRLCYP3A4CALCA | |
| SCHEMBL13081146 | 0.87 | CALCRL (0.73) | CALCRLCYP3A4CALCA | |
| SCHEMBL13080937 | 0.87 | CALCRL (0.73) | CALCRLCYP3A4CALCA | |
| SCHEMBL14305555 | 0.87 | CALCRL (0.62) | CALCRLCYP3A4CALCA |
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 |
|---|---|---|---|---|---|---|---|
| US-7842808-B2 | calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-11-30 | — | — | US | disclosed |