Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 8/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27796221 | 0.81 | PARP1 (0.32) | ALDH1A1HPGDHTTPARP1MAPT | |
| SCHEMBL27817508 | 0.79 | KMT2A (0.54) | KMT2AALDH1A1MEN1SMN1; SMN2HPGD | |
| SCHEMBL27796234 | 0.78 | ALDH1A1 (0.44) | KMT2AALDH1A1MEN1SMN1; SMN2KDM4E | |
| SCHEMBL14836896 | 0.76 | PARP1 (0.48) | KMT2AALDH1A1MEN1HPGDPARP1 | |
| SCHEMBL917909 | 0.75 | PARP1 (0.39) | HTTPARP1 | |
| SCHEMBL14837347 | 0.75 | PARP1 (0.39) | KMT2AALDH1A1MEN1SMN1; SMN2KDM4E | |
| SCHEMBL917974 | 0.75 | CYP2A6 (0.39) | PARP1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL917641 | 0.74 | PARP1 (0.38) | ALDH1A1HTTPARP1 | |
| SCHEMBL918234 | 0.74 | PARP1 (0.34) | PARP1 | |
| SCHEMBL917709 | 0.73 | KDM4E (0.48) | KMT2AALDH1A1SMN1; SMN2KDM4EPOLB |
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 |