Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 3/20 | 0.52 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4457002 | 0.96 | SLC6A9 (0.55) | SLC6A9SLC6A5ALDH1A1GAALMNA | |
| SCHEMBL4462507 | 0.93 | SLC6A9 (0.52) | SLC6A9GAAKCNH2EPHX2HDAC3 | |
| SCHEMBL4475302 | 0.89 | EPHX2 (0.53) | SLC6A9GAAKCNH2EPHX2CYP2C9 | |
| SCHEMBL4465490 | 0.84 | EPHX2 (0.49) | GAAKCNH2NPC1EPHX2HDAC3 | |
| SCHEMBL4460835 | 0.83 | POLB (0.53) | SLC6A9SLC6A5KCNH2EPHX2HDAC3 | |
| SCHEMBL4459399 | 0.83 | KCNH2 (0.59) | KCNH2EPHX2 | |
| SCHEMBL4474701 | 0.81 | KCNH2 (0.62) | KCNH2KMT2AMEN1 | |
| SCHEMBL4465355 | 0.81 | SLC6A9 (0.50) | SLC6A9GAAKCNH2EPHX2HDAC3 | |
| SCHEMBL4465361 | 0.81 | SLC6A9 (0.50) | SLC6A9GAAKCNH2EPHX2HDAC3 | |
| SCHEMBL4461668 | 0.81 | SLC6A9 (0.50) | SLC6A9GAAKCNH2EPHX2HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1846365-A1 | DIAMINE CALCIUM CHANNEL BLOCKERS | Neuromed Pharmaceuticals, Ltd. (CA) | 2007-10-24 | — | — | EP | claimed |
| WO-2006084369-A1 | DIAMINE CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2006-08-17 | — | — | WO | claimed |