Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30614513 | 1.00 | MEN1 (0.40) | MEN1POLBKMT2AARKDM4E | |
| SCHEMBL7505820 | 0.82 | PPARG (0.38) | ARKDM4EADORA2AADORA1HCRTR2 | |
| SCHEMBL13409380 | 0.81 | NCF1 (0.46) | MEN1POLBKMT2APARP1PSMD14 | |
| SCHEMBL4590870 | 0.81 | CCR1 (0.45) | MEN1POLBKMT2AMCHR1CYP2C9 | |
| SCHEMBL13757501 | 0.81 | NR4A2 (0.51) | MEN1POLBKMT2AKDM4EPARP1 | |
| SCHEMBL13443834 | 0.79 | ADORA2A (0.53) | POLBARKDM4EPARP1ADORA2A | |
| SCHEMBL7507127 | 0.76 | ADORA2A (0.40) | ARKDM4EADORA2AADORA1HCRTR2 | |
| SCHEMBL7513030 | 0.76 | SLC40A1 (0.38) | ARKDM4EADORA2AADORA1HCRTR2 | |
| SCHEMBL7067847 | 0.75 | ADORA2A (0.36) | KDM4EPARP1ADORA2ACYP2C9 | |
| SCHEMBL21173367 | 0.75 | PARP1 (0.41) | KDM4EPARP1ADORA2AADORA1PSMD14 |
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 |
|---|---|---|---|---|---|---|---|
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |