Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | GHSR | Q92847 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CACNA1I | Q9P0X4 | 7/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.42 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22019050 | 0.85 | CACNA1I (0.48) | RAB9ANPC1CACNA1IKCNH2ERCC1 | |
| SCHEMBL22019049 | 0.84 | CACNA1I (0.47) | RAB9ANPC1CACNA1IKCNH2ERCC1 | |
| SCHEMBL4273159 | 0.82 | CACNA1I (0.49) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL19112992 | 0.81 | CACNA1I (0.47) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL19112805 | 0.81 | CACNA1I (0.48) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL4270993 | 0.79 | CACNA1I (0.45) | RAB9ANPC1CACNA1IKCNH2CYP2D6 | |
| SCHEMBL22019051 | 0.79 | NPC1 (0.42) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL4278734 | 0.78 | CACNA1I (0.43) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL4275836 | 0.78 | CACNA1I (0.46) | RAB9ANPC1CACNA1IKCNH2ENPP2 | |
| SCHEMBL4269196 | 0.78 | CACNA1I (0.46) | RAB9ANPC1CACNA1IKCNH2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3189839-B1 | N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | PRAXIS PREC MEDICINES INC (US) | 2020-05-20 | — | — | EP | disclosed |