Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14022726 | 0.95 | ALDH1A1 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL265880 | 0.93 | CYP3A4 (0.62) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL263878 | 0.88 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL264374 | 0.85 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL263727 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL262628 | 0.79 | MEN1 (0.56) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL263410 | 0.78 | CYP3A4 (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL264526 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL265919 | 0.77 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL262985 | 0.74 | SMN1; SMN2 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 |
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-2008138126-A1 | BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2008-11-20 | — | — | WO | disclosed |