Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.52 |
| ▸ | TYMP | P19971 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5528850 | 0.69 | PARP1 (1.00) | PARP1HPGDALDH1A1LMNATSHR | |
| SCHEMBL14837149 | 0.69 | GAA (0.48) | PARP1TYMPALDH1A1TSHRKDM4E | |
| SCHEMBL17351293 | 0.68 | PDE9A (0.57) | PARP1HPGDALDH1A1USP2ALOX15 | |
| SCHEMBL5525212 | 0.66 | PARP1 (1.00) | PARP1HPGDALDH1A1LMNATSHR | |
| SCHEMBL2673855 | 0.66 | KDM4E (0.43) | HPGDALDH1A1KDM4EBRD4CREBBP | |
| SCHEMBL24625465 | 0.66 | TYMP (0.46) | TYMPHPGDALDH1A1LMNATSHR | |
| SCHEMBL918628 | 0.66 | KDM4E (0.44) | PARP1HPGDALDH1A1LMNATSHR | |
| SCHEMBL918070 | 0.65 | KDM4E (0.35) | PARP1HPGDALDH1A1LMNACYP3A4 | |
| SCHEMBL918479 | 0.64 | SMN1; SMN2 (0.48) | PARP1HPGDALDH1A1LMNACYP1A2 | |
| SCHEMBL2966615 | 0.64 | RAB9A (0.42) | HPGDALDH1A1LMNACYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |