Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3301163 | 0.85 | KDM4A (0.41) | CACNA1HCACNA1BCACNA1CAAK1LMNA | |
| SCHEMBL16822059 | 0.83 | EPHX2 (0.41) | EPHX2POLBNTRK1MAPK1 | |
| SCHEMBL31380341 | 0.78 | CACNA1H (0.47) | CACNA1HCACNA1BCACNA1CAAK1LMNA | |
| SCHEMBL20320534 | 0.77 | LMNA (0.45) | CACNA1HCACNA1BCACNA1CAAK1LMNA | |
| SCHEMBL12656366 | 0.76 | EPHX2 (0.46) | CACNA1HCACNA1BCACNA1CEPHX2AAK1 | |
| SCHEMBL16094537 | 0.76 | EPHX2 (0.46) | CACNA1HCACNA1BCACNA1CEPHX2LMNA | |
| SCHEMBL20380317 | 0.75 | LMNA (0.59) | CACNA1HCACNA1BCACNA1CEPHX2LMNA | |
| SCHEMBL26101477 | 0.75 | CACNA1H (0.45) | CACNA1HCACNA1BCACNA1CEPHX2AAK1 | |
| SCHEMBL24821267 | 0.74 | EPHX2 (0.44) | CACNA1HCACNA1BCACNA1CEPHX2LMNA | |
| SCHEMBL31431106 | 0.74 | CACNA1H (0.47) | CACNA1HCACNA1BCACNA1CAAK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |