Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 11/20 | 0.56 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046614 | 1.00 | CALCRL (0.56) | CALCRLCTSLCTSBPARP1CASP3 | |
| SCHEMBL13804327 | 0.92 | CALCRL (0.52) | CALCRLCTSLCTSBPARP1CASP3 | |
| SCHEMBL2214512 | 0.91 | CALCRL (0.61) | CALCRLPARP1CASP3 | |
| SCHEMBL2210320 | 0.90 | CALCRL (0.52) | CALCRLPARP1CASP3 | |
| SCHEMBL2211790 | 0.90 | CALCRL (0.56) | CALCRLPARP1CASP3 | |
| SCHEMBL2210477 | 0.90 | CALCRL (0.55) | CALCRLPARP1CASP3 | |
| SCHEMBL2207459 | 0.90 | CALCRL (0.62) | CALCRLPARP1CASP3 | |
| SCHEMBL2209816 | 0.89 | CALCRL (0.60) | CALCRLCTSLCTSBPARP1 | |
| SCHEMBL2211079 | 0.89 | CALCRL (0.59) | CALCRLPARP1CASP3 | |
| SCHEMBL2213969 | 0.89 | CALCRL (0.61) | CALCRLCTSLCTSBPARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013213-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| 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-2007130927-A2 | CONDENSED TRICYCLIC 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 |
| 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 |