Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5238536 | 0.89 | CALCRL (0.69) | CALCRLCYP3A4 | |
| SCHEMBL3882125 | 0.86 | CALCRL (0.56) | CALCRLCYP3A4 | |
| SCHEMBL3882123 | 0.86 | CALCRL (0.56) | CALCRLCYP3A4 | |
| SCHEMBL3883595 | 0.85 | CALCRL (0.53) | CALCRLCYP3A4 | |
| SCHEMBL3887030 | 0.84 | CALCRL (0.60) | CALCRLCYP3A4 | |
| SCHEMBL3887025 | 0.84 | CALCRL (0.60) | CALCRLCYP3A4 | |
| SCHEMBL14385937 | 0.84 | CALCRL (0.61) | CALCRLCYP3A4 | |
| SCHEMBL3880377 | 0.82 | CALCRL (0.58) | CALCRLCYP3A4 | |
| SCHEMBL3880370 | 0.82 | CALCRL (0.58) | CALCRLCYP3A4 | |
| SCHEMBL3883209 | 0.81 | CALCRL (0.80) | CALCRLCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | claimed |
| WO-2007130860-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| EP-1809633-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006052378-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |