Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.37 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8702866 | 0.84 | CYP2D6 (0.47) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL1858737 | 0.82 | GAA (0.42) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL1858736 | 0.82 | GAA (0.42) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL1858738 | 0.82 | GAA (0.42) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL3678496 | 0.73 | PDPK1 (0.57) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL3678499 | 0.73 | PDPK1 (0.57) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL20533123 | 0.72 | GAA (0.48) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL20533124 | 0.72 | GAA (0.48) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL20533125 | 0.72 | GAA (0.48) | CYP2D6KCNH2GAAL3MBTL1LMNA | |
| SCHEMBL19398832 | 0.71 | CTSD (0.40) | CYP2D6GAALMNACTSDBACE1 |
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-1998047877-A1 | 2-BENZOYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HEPATIC PRODUCTION OF APOB-100 | GLAXO GROUP LIMITED (GB) | 1998-10-29 | — | — | WO | disclosed |