Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTPS1 | Q14703 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7368517 | 0.94 | CACNA1B (0.47) | MBTPS1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL7366435 | 0.84 | MBTPS1 (0.47) | MBTPS1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL18342235 | 0.75 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL476886 | 0.75 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL476885 | 0.75 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL7373750 | 0.75 | ALOX5 (0.45) | KCNH2ALOX5 | |
| SCHEMBL7370862 | 0.73 | MBTPS1 (0.48) | MBTPS1SLC6A2SLC6A4SLC6A3KCNH2 | |
| Oxalic Acid SCHEMBL1624804 | 0.73 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL1624807 | 0.70 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL7761599 | 0.70 | NR4A1 (0.62) | SLC6A2SLC6A3ALOX5 |
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 |