Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTPS1 | Q14703 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 15/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368515 | 0.95 | CACNA1B (0.44) | MBTPS1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7370864 | 0.73 | MBTPS1 (0.52) | MBTPS1SLC6A2SLC6A4KCNH2SLC6A3 | |
| SCHEMBL7366434 | 0.72 | MBTPS1 (0.47) | MBTPS1KCNH2CACNA1B | |
| SCHEMBL476885 | 0.71 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL476886 | 0.71 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL18342235 | 0.71 | SLC6A2 (0.60) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL5358933 | 0.71 | PARP10 (0.51) | SIRT2 | |
| SCHEMBL7375298 | 0.70 | NPC1 (0.43) | SIRT2 | |
| SCHEMBL6803013 | 0.69 | SIRT2 (0.49) | SIRT2 | |
| Oxalic Acid SCHEMBL1624804 | 0.69 | SLC6A2 (0.57) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | claimed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |