Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.42 |
| ▸ | MGAM | O43451 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL14837182 | 0.82 | SIGMAR1 (0.47) | PARP1THRBMEN1KMT2AALDH1A1 | |
| SCHEMBL27796234 | 0.80 | ALDH1A1 (0.44) | PARP1TSHRHPGDMEN1KMT2A | |
| SCHEMBL27817508 | 0.80 | KMT2A (0.54) | PARP1TSHRHPGDMEN1KMT2A | |
| SCHEMBL27796221 | 0.78 | PARP1 (0.32) | PARP1HPGDALDH1A1 | |
| SCHEMBL14837106 | 0.76 | KMT2A (0.43) | PARP1HPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL14836947 | 0.76 | PARP1 (0.39) | PARP1KMT2A | |
| SCHEMBL3075869 | 0.74 | PARP1 (0.53) | PARP1MEN1KMT2AALDH1A1 | |
| SCHEMBL14837279 | 0.73 | L3MBTL1 (0.50) | PARP1MEN1KMT2AALDH1A1 | |
| SCHEMBL14837181 | 0.73 | LDHA (0.42) | PARP1HPGDALDH1A1 | |
| SCHEMBL14837025 | 0.72 | PARP1 (0.58) | PARP1MEN1KMT2A |
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 |