Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 13/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 6/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4050485 | 0.89 | CALCRL (0.44) | CALCRLCYP3A4METAP2 | |
| SCHEMBL4047932 | 0.88 | CALCRL (0.54) | CALCRLCYP3A4 | |
| SCHEMBL4051406 | 0.88 | CALCRL (0.44) | CALCRLCYP3A4METAP2 | |
| SCHEMBL4049699 | 0.88 | CALCRL (0.44) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2211283 | 0.84 | CALCRL (0.49) | CALCRLCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL2210152 | 0.83 | CALCRL (0.50) | CALCRLCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL2212914 | 0.76 | CALCRL (0.49) | CALCRLCYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL2209692 | 0.76 | CALCRL (0.56) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2209682 | 0.76 | CALCRL (0.56) | CALCRLCYP3A4METAP2 | |
| SCHEMBL2214453 | 0.76 | CALCRL (0.51) | CALCRLCYP3A4HSP90AA1HSP90AB1 |
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 |