Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 7/20 | 0.48 |
| ▸ | CACNB1 | Q02641 | 7/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.47 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.47 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | GPX4 | P36969 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19078759 | 0.95 | CYP3A4 (0.47) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276413 | 0.95 | CACNA2D1 (0.53) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276367 | 0.86 | CNR1 (0.48) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276706 | 0.85 | GPX4 (0.52) | FAAHMGLLCYP3A4CYP3A5GPX4 | |
| SCHEMBL17276515 | 0.82 | MGLL (0.47) | CACNA2D1CACNB1CACNA1BCACNA1CFAAH | |
| SCHEMBL19065750 | 0.82 | MGLL (0.47) | CACNA2D1CACNB1CACNA1BCACNA1CFAAH | |
| SCHEMBL17276651 | 0.81 | GPX4 (0.56) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276788 | 0.79 | GPX4 (0.51) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276300 | 0.79 | CNR1 (0.49) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G | |
| SCHEMBL17276325 | 0.78 | MGLL (0.57) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015179559-A2 | PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME | ABIDE THERAPEUTICS, INC. (US) | 2015-11-26 | — | — | WO | disclosed |