Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.71 |
| ▸ | CALCA | P06881 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13283564 | 0.89 | CALCRL (0.76) | CALCRLCYP3A4CALCA | |
| SCHEMBL13081132 | 0.86 | CALCRL (0.58) | CALCRLCYP3A4CALCA | |
| SCHEMBL3607821 | 0.85 | CALCRL (0.76) | CALCRLCYP3A4CALCA | |
| SCHEMBL3607815 | 0.85 | CALCRL (0.76) | CALCRLCYP3A4CALCA | |
| SCHEMBL13080975 | 0.83 | CALCRL (0.72) | CALCRLCYP3A4CALCA | |
| SCHEMBL27626928 | 0.83 | CALCRL (0.65) | CALCRLCYP3A4CALCACHRM4 | |
| SCHEMBL3590469 | 0.83 | CALCRL (1.00) | CALCRLCYP3A4 | |
| SCHEMBL13081277 | 0.83 | CALCRL (1.00) | CALCRLCYP3A4 | |
| SCHEMBL30231739 | 0.83 | CALCRL (1.00) | CALCRLCYP3A4 | |
| SCHEMBL13080978 | 0.82 | CALCRL (0.65) | 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 |