Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCT | Q16769 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | CALCRL | Q16602 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP9 | P55211 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL379723 | 0.77 | CALCRL (0.46) | QPCTBRD4CREBBPCALCRL | |
| SCHEMBL5534441 | 0.70 | DDB1 (0.41) | QPCTCASP7MAPTALDH1A1POLB | |
| SCHEMBL4700125 | 0.67 | ATM (0.38) | QPCTCALCRLALDH1A1 | |
| SCHEMBL379605 | 0.66 | BRD4 (0.35) | BRD4CREBBPMAPTALDH1A1KDM4E | |
| SCHEMBL4032622 | 0.65 | ALDH1A1 (0.47) | AHRPDK2BRD4CREBBPNPC1 | |
| SCHEMBL14353736 | 0.64 | ALDH1A1 (0.42) | AKR1B1CYP1A2MAPTALDH1A1POLB | |
| SCHEMBL1274913 | 0.62 | CALCRL (0.46) | CALCRL | |
| SCHEMBL1394328 | 0.62 | CALCRL (0.46) | CALCRL | |
| SCHEMBL259592 | 0.61 | CRBN (0.44) | AHRPDK2CALCRLNPC1MAPK13 | |
| SCHEMBL1986924 | 0.60 | MAPT (0.40) | AKR1B1BRD4CREBBPMAPTALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049532-A1 | CGRP RECEPTOR ANTAGONISTS | Vertex Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008011190-A1 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-24 | — | — | WO | disclosed |
| EP-1608627-A4 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1608627-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | Merck & Co. Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004082605-A2 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 2004-09-30 | — | — | WO | disclosed |