Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL33 | O95760 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.33 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18862260 | 0.78 | IL33 (0.42) | IL33CXCR4HDAC1LMNANPC1 | |
| SCHEMBL14836813 | 0.76 | LMNA (0.43) | LMNAKDM4EALDH1A1POLBPARP1 | |
| SCHEMBL14837200 | 0.74 | PARP1 (0.43) | LMNANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL918327 | 0.71 | CDC7 (0.36) | ALDH1A1PARP1 | |
| SCHEMBL917974 | 0.69 | CYP2A6 (0.39) | PARP1 | |
| SCHEMBL14836947 | 0.65 | PARP1 (0.39) | SMN1; SMN2PARP1 | |
| SCHEMBL14837487 | 0.64 | ACHE (0.40) | KDM4EALDH1A1POLBPARP1 | |
| SCHEMBL327871 | 0.64 | CXCR4 (0.53) | CXCR4HDAC1LMNANPC1RAB9A | |
| SCHEMBL14836896 | 0.63 | PARP1 (0.48) | ALDH1A1PARP1 | |
| SCHEMBL14837159 | 0.63 | KMT2A (0.41) | RAB9AKDM4EALDH1A1POLBSMN1; SMN2 |
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 |