Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Verapamil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C known ✓ | Q13936 | 3/20 | 0.98 |
| ▸ | CACNA1F known ✓ | O60840 | 2/20 | 0.98 |
| ▸ | CACNA1D known ✓ | Q01668 | 2/20 | 0.98 |
| ▸ | CACNA1S known ✓ | Q13698 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 8/20 | 1.00 |
| ▸ | MEN1 | O00255 | 3/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 3/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 1.00 |
| ▸ | TSHR | P16473 | 3/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 3/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 3/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 1.00 |
| ▸ | USP2 | O75604 | 1/20 | 1.00 |
| ▸ | RECQL | P46063 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.98 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.98 |
| ▸ | HTR1A | P08908 | 2/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Dexverapamil SCHEMBL8759750 | 1.00 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL33296 | 1.00 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| (S)-Verapamil SCHEMBL8759334 | 1.00 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL1801539 | 1.00 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL1172818 | 1.00 | CYP3A4 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL17598055 | 0.99 | CYP3A4 (0.98) | CYP3A4MEN1KMT2ALMNATSHR | |
| Dexverapamil SCHEMBL33297 | 0.99 | ABCB1 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL16742 | 0.99 | ABCB1 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL1902363 | 0.99 | ABCB1 (1.00) | CYP3A4MEN1KMT2ALMNATSHR | |
| Verapamil SCHEMBL29450364 | 0.99 | ABCB1 (1.00) | CYP3A4MEN1KMT2ALMNATSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9468680-B2 | Differential effects of drugs on transport in a multi-layer 3D spheroid model | BROWN UNIVERSITY (US) | 2016-10-18 | — | — | US | disclosed |
| EP-2509591-B1 | METHODS AND COMPOSITIONS FOR TREATING DISEASE OR CONDITION RELATED TO OREXIN RECEPTOR 1, OREXIN RECEPTOR 2, SOMATOSTATIN RECEPTOR 2 OR DOPAMINE D2L RECEPTOR | CT LAB INC (TW) | 2015-11-25 | — | — | EP | disclosed |
| US-20130210911-A1 | METHOD AND COMPOSITION FOR TREATING A DISEASE OR CONDITION RELATED TO OREXIN RECEPTOR 1, OREXIN RECEPTOR 2, SOMATOSTATIN RECEPTOR 2 OR DOPAMINE D2L RECEPTOR | CENTER LABORATORIES, INC. (TW) | 2013-08-15 | — | — | US | disclosed |
| US-20130079288-A1 | DIFFERENTIAL EFFECTS OF DRUGS ON TRANSPORT IN A MULTI-LAYER 3D SPHEROID MODEL | BROWN UNIVERSITY (US) | 2013-03-28 | — | — | US | disclosed |
| EP-2509591-A1 | METHODS AND COMPOSITIONS FOR TREATING DISEASE OR CONDITION RELATED TO OREXIN RECEPTOR 1, OREXIN RECEPTOR 2, SOMATOSTATIN RECEPTOR 2 OR DOPAMINE D2L RECEPTOR | Center Laboratories, Inc. (TW) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011057471-A1 | METHODS AND COMPOSITIONS FOR TREATING DISEASE OR CONDITION RELATED TO OREXIN RECEPTOR 1, OREXIN RECEPTOR 2, SOMATOSTATIN RECEPTOR 2 OR DOPAMINE D2L RECEPTOR | CENTER LABORATORIES, INC. (CN) | 2011-05-19 | — | — | WO | disclosed |