Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837181 | 0.84 | LDHA (0.42) | L3MBTL1ALDH1A1PKMPARP1 | |
| SCHEMBL14836947 | 0.82 | PARP1 (0.39) | KMT2APARP1 | |
| SCHEMBL14837159 | 0.79 | KMT2A (0.41) | MEN1KMT2APOLBALDH1A1PKM | |
| SCHEMBL917709 | 0.77 | KDM4E (0.48) | L3MBTL1NPC1KMT2APOLBALDH1A1 | |
| SCHEMBL917909 | 0.77 | PARP1 (0.39) | PARP1 | |
| SCHEMBL14837184 | 0.76 | LMNA (0.39) | L3MBTL1NPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL918232 | 0.76 | PARP1 (0.35) | L3MBTL1MEN1KMT2AALDH1A1PARP1 | |
| SCHEMBL14837487 | 0.75 | ACHE (0.40) | MEN1KMT2APOLBALDH1A1PARP1 | |
| SCHEMBL14837347 | 0.74 | PARP1 (0.39) | NPC1RXFP1MEN1KMT2APOLB | |
| SCHEMBL917974 | 0.74 | CYP2A6 (0.39) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758864-B1 | Substituted tetrahydro-2H-isoquinolin-1-one derivatives, method for their preparation, and their use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2013-04-10 | — | — | EP | disclosed |
| CN-1968929-B | Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments | SANOFI AVENTIS DEUTSCHLAND | 2010-09-08 | — | — | CN | disclosed |