Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | 0.79 | PARP1 (0.32) | ALDH1A1PARP1HPGD | |
| SCHEMBL27817508 | 0.79 | KMT2A (0.54) | ALDH1A1PARP1HPGDRAB9ARECQL | |
| SCHEMBL14837181 | 0.79 | LDHA (0.42) | ALDH1A1KDM4EPARP1HPGD | |
| SCHEMBL14837106 | 0.78 | KMT2A (0.43) | ALDH1A1KDM4EPARP1HPGDPOLB | |
| SCHEMBL14837182 | 0.74 | SIGMAR1 (0.47) | ALDH1A1PARP1MEN1KMT2A | |
| SCHEMBL14837347 | 0.73 | PARP1 (0.39) | ALDH1A1KDM4EPARP1RAB9APOLB | |
| SCHEMBL917974 | 0.73 | CYP2A6 (0.39) | PARP1 | |
| SCHEMBL14836947 | 0.73 | PARP1 (0.39) | PARP1KMT2ASMN1; SMN2 | |
| SCHEMBL14837432 | 0.72 | PARP1 (0.34) | PARP1 | |
| SCHEMBL917709 | 0.72 | KDM4E (0.48) | ALDH1A1KDM4ERAB9APOLBKMT2A |
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 |