Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14836767 | 0.86 | PRKCQ (0.34) | PARP1LMNAMAPTPRKCQPRKCD | |
| SCHEMBL14836813 | 0.85 | LMNA (0.43) | PARP1KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL918327 | 0.84 | CDC7 (0.36) | PARP1ALDH1A1CYP1A2 | |
| SCHEMBL14837487 | 0.83 | ACHE (0.40) | PARP1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL917974 | 0.82 | CYP2A6 (0.39) | PARP1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL917830 | 0.77 | PARP1 (0.37) | PARP1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL917945 | 0.76 | ALDH1A1 (0.43) | PARP1KDM4EGAAALDH1A1HPGD | |
| SCHEMBL14837256 | 0.74 | IL33 (0.39) | PARP1KDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL14837181 | 0.74 | LDHA (0.42) | PARP1KDM4EALDH1A1HPGD | |
| SCHEMBL917909 | 0.73 | PARP1 (0.39) | PARP1USP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |