Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.40 |
| ▸ | CACNB1 | Q02641 | 4/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.40 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.36 |
| ▸ | UTRN | P46939 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20469713 | 0.89 | CETP (0.40) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A | |
| SCHEMBL20469792 | 0.89 | CETP (0.40) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A | |
| SCHEMBL20469661 | 0.83 | MGLL (0.46) | CACNA2D1CACNB1CACNA1BCACNA1CCETP | |
| SCHEMBL23542112 | 0.83 | MGLL (0.46) | CACNA2D1CACNB1CACNA1BCACNA1CCETP | |
| SCHEMBL20469662 | 0.83 | ABL1 (0.41) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A | |
| SCHEMBL20469659 | 0.82 | CTSA (0.41) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A | |
| SCHEMBL20469726 | 0.81 | SCN5A (0.43) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A | |
| SCHEMBL20469761 | 0.79 | CETP (0.42) | CETPMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL20469753 | 0.79 | CETP (0.42) | CETPMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL20469805 | 0.79 | KMT2A (0.44) | CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A |
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-2018141854-A1 | PIPERAZINE DERIVATIVES FOR INFLUENZA VIRUS INHIBITION | JANSSEN VACCINES & PREVENTION B.V. (NL) | 2018-08-09 | — | — | WO | disclosed |