Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.46 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3883686 | 1.00 | CALCRL (0.46) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3995749 | 0.96 | CALCRL (0.46) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3879129 | 0.95 | CALCRL (0.50) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3885446 | 0.95 | CALCRL (0.50) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL4033521 | 0.94 | CYP3A4 (0.45) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL4034523 | 0.93 | CALCRL (0.45) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL4033386 | 0.93 | CALCRL (0.45) | CALCRLCYP3A4RAMP1 | |
| Maleic Acid SCHEMBL3881521 | 0.93 | CALCRL (0.47) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3285322 | 0.91 | CALCRL (0.56) | CALCRLCYP3A4 | |
| SCHEMBL6226852 | 0.90 | CALCRL (0.53) | CALCRLCYP3A4RAMP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2010513-A2 | NOVEL CRYSTALLINE COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2009-01-07 | — | — | EP | claimed |
| WO-2007118819-A2 | NOVEL CRYSTALLINE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-25 | — | — | WO | claimed |
| EP-1558601-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004037811-A1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-05-06 | — | — | WO | disclosed |