Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048286 | 1.00 | CALCRL (0.49) | CALCRLCYP3A4ESR1 | |
| SCHEMBL2209884 | 0.91 | CALCRL (0.52) | CALCRLCYP3A4 | |
| SCHEMBL2210420 | 0.91 | CALCRL (0.52) | CALCRLCYP3A4 | |
| SCHEMBL2212320 | 0.89 | CALCRL (0.52) | CALCRLCYP3A4ESR1 | |
| SCHEMBL2212288 | 0.89 | CALCRL (0.52) | CALCRLCYP3A4ESR1 | |
| SCHEMBL2209962 | 0.85 | CALCRL (0.49) | CALCRLESR1 | |
| SCHEMBL2212993 | 0.84 | CALCRL (0.51) | CALCRLESR1 | |
| SCHEMBL2213000 | 0.84 | CALCRL (0.51) | CALCRLESR1 | |
| SCHEMBL4364204 | 0.82 | CALCRL (0.49) | CALCRLESR1 | |
| SCHEMBL4364199 | 0.82 | CALCRL (0.49) | CALCRLESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |