Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1I | Q9P0X4 | 2/20 | 0.60 |
| ▸ | ACACB | O00763 | 10/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21920417 | 0.82 | CACNA1I (0.65) | CACNA1IACACBACACACACNA1GCACNA1H | |
| Hydrochloric Acid SCHEMBL29791928 | 0.79 | CACNA1I (0.67) | CACNA1IACACBACACACACNA1GCACNA1H | |
| SCHEMBL15022712 | 0.79 | ESR1 (0.46) | CACNA1IACACBPPARDPPARAACACA | |
| SCHEMBL15022711 | 0.79 | ESR1 (0.46) | CACNA1IACACBPPARDPPARAACACA | |
| SCHEMBL2134729 | 0.78 | CACNA1I (0.73) | CACNA1ICNR1HPGDS | |
| SCHEMBL2134726 | 0.78 | CACNA1I (0.73) | CACNA1ICNR1HPGDS | |
| SCHEMBL588472 | 0.78 | APLNR (0.48) | CACNA1IACACBACACACACNA1GCACNA1H | |
| SCHEMBL588802 | 0.78 | B3GNT2 (0.47) | CACNA1IACACB | |
| SCHEMBL12069877 | 0.78 | APLNR (0.48) | CACNA1IACACBACACACACNA1GCACNA1H | |
| SCHEMBL588473 | 0.78 | APLNR (0.48) | CACNA1IACACBACACACACNA1GCACNA1H |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2010493-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck & Co., Inc. (US) | 2009-01-07 | — | — | EP | disclosed |
| WO-2007120729-A2 | PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |