Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14836896 | 0.80 | PARP1 (0.48) | KMT2AHPGDMEN1ALDH1A1TSHR | |
| SCHEMBL27796234 | 0.79 | ALDH1A1 (0.44) | KMT2ASMN1; SMN2HPGDRAB9AMEN1 | |
| SCHEMBL27796221 | 0.79 | PARP1 (0.32) | HPGDALDH1A1GAAMAPTPARP1 | |
| SCHEMBL2673754 | 0.74 | KMT2A (0.52) | KMT2ASMN1; SMN2HPGDL3MBTL1RAB9A | |
| SCHEMBL917974 | 0.72 | CYP2A6 (0.39) | PARP1 | |
| SCHEMBL918234 | 0.70 | PARP1 (0.34) | PARP1 | |
| SCHEMBL28598243 | 0.70 | CCR5 (0.50) | KMT2ASMN1; SMN2HPGDL3MBTL1RAB9A | |
| SCHEMBL14837095 | 0.69 | PARP1 (0.39) | HPGDALDH1A1GAAPARP1LMNA | |
| SCHEMBL14837200 | 0.69 | PARP1 (0.43) | KMT2ASMN1; SMN2HPGDRAB9ANPC1 | |
| SCHEMBL918232 | 0.69 | PARP1 (0.35) | KMT2ASMN1; SMN2L3MBTL1MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |