Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8980141 | 0.85 | CYP2C19 (0.50) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL1999871 | 0.83 | CYP2C19 (0.53) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL8980116 | 0.83 | CYP2C19 (0.53) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL9508342 | 0.82 | CACNA1B (0.46) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| Ammonia Solution, Strong SCHEMBL28762273 | 0.80 | CACNA1B (0.44) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL28762271 | 0.79 | CACNA1B (0.43) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL10703266 | 0.77 | CYP2D6 (0.46) | CYP2D6 | |
| SCHEMBL12526882 | 0.77 | CYP2D6 (0.46) | CYP2D6 | |
| SCHEMBL23270918 | 0.76 | NAAA (0.50) | CACNA1BCYP2C19NAAAHTTEPHX1 | |
| SCHEMBL21614518 | 0.75 | NAAA (0.54) | CACNA1BCYP2C19NAAAHTTEPHX1 |
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-1761656-A | 3-(1-[3-(1,3-benzothiazol-6-yl)propylcarbamoyl]cycloalkyl)propanoic acid derivatives as NEP inhibitors | PFIZER (US) | 2006-04-19 | — | — | CN | disclosed |