Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 6/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | CASP1 | P29466 | 1/20 | 0.62 |
| ▸ | CASP7 | P55210 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL24326609 | 0.86 | RAB9A (0.76) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL23958379 | 0.81 | CYP2D6 (0.92) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL31532358 | 0.80 | KCNH2 (0.60) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL26887340 | 0.78 | SPHK2 (0.58) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL15231570 | 0.77 | S1PR1 (0.45) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL44702 | 0.76 | KCNH2 (0.44) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL17115053 | 0.75 | FAAH (0.48) | KCNH2CYP2D6HTTALDH1A1KMT2A | |
| SCHEMBL14703941 | 0.74 | RAB9A (0.74) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL14890146 | 0.74 | MAPT (0.78) | KCNH2CYP2D6NPC1RAB9ALMNA | |
| SCHEMBL2089284 | 0.73 | NOTUM (0.68) | KCNH2CYP2D6NPC1RAB9AMAPK1 |
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-2024088922-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) | F. HOFFMANN-LA ROCHE AG (CH) | 2024-05-02 | — | — | WO | disclosed |