Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | FABP6 | P51161 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 13/20 | 0.46 |
| ▸ | PARP11 | Q9NR21 | 13/20 | 0.46 |
| ▸ | PARP1 | P09874 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4708855 | 0.75 | DYRK1A (0.40) | ACHEFABP6PARP10PARP11PARP1 | |
| SCHEMBL25644484 | 0.75 | PARP1 (0.46) | ACHEPARP10PARP11PARP1PDPK1 | |
| SCHEMBL27340828 | 0.71 | PARP10 (0.54) | ACHEFABP6PARP10PARP11PARP1 | |
| SCHEMBL4830542 | 0.70 | CES1 (0.42) | FABP6CDK1MAPKAPK2 | |
| SCHEMBL31115464 | 0.70 | CES1 (0.42) | FABP6CDK1MAPKAPK2 | |
| SCHEMBL24681313 | 0.68 | PARP10 (0.60) | ACHEPARP10PARP11PARP1PDPK1 | |
| SCHEMBL1759917 | 0.67 | NOTUM (0.56) | ACHEPARP10PARP11PARP1PDPK1 | |
| SCHEMBL8887028 | 0.67 | HTR2A (0.36) | KDM4ECDK1MAPKAPK2 | |
| SCHEMBL4165821 | 0.67 | ACHE (0.54) | ACHEPARP10PARP11PARP1PDPK1 | |
| SCHEMBL4708565 | 0.67 | KDM4E (0.39) | FABP6PARP10PARP11PARP1KDM4E |
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-2340830-A2 | Hepatitis C Virus Inhibitors | Bristol-Myers Squibb Company (US) | 2011-07-06 | — | — | EP | disclosed |