Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 7/20 | 0.39 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16042892 | 0.76 | CA1 (0.47) | ERN1BPTFPARP1PTPN11CES2 | |
| SCHEMBL3783315 | 0.74 | PARP1 (0.43) | ERN1BPTFPARP1PTPN11CES2 | |
| SCHEMBL1233573 | 0.74 | HDAC1 (0.44) | BPTFPARP1PTPN11CES2CES1 | |
| SCHEMBL15539961 | 0.69 | PARP1 (0.53) | ERN1PARP1CES2CES1PARP10 | |
| Formic Acid SCHEMBL30995347 | 0.69 | ERN1 (0.50) | ERN1PARP1PTPN11CES2CES1 | |
| SCHEMBL23890741 | 0.69 | ERN1 (0.31) | ERN1 | |
| SCHEMBL7161332 | 0.69 | PARP1 (0.49) | ERN1PARP1CES2CES1PARP10 | |
| SCHEMBL23534334 | 0.69 | ERN1 (0.34) | ERN1 | |
| SCHEMBL1799276 | 0.69 | CES2 (0.64) | ERN1PARP1PTPN11CES2CES1 | |
| SCHEMBL29375224 | 0.69 | ERN1 (0.67) | ERN1PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100341874-C | Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2007-10-10 | — | — | CN | disclosed |
| CN-1784404-A | Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof | NOVARTIS AG (CH) | 2006-06-07 | — | — | CN | disclosed |