Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL81650 | 0.69 | NISCH (0.59) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7361822 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1536214 | 0.67 | NISCH (0.56) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28425230 | 0.67 | NISCH (0.56) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18190437 | 0.65 | BRD4 (0.33) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5454911 | 0.64 | NISCH (0.45) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL2563442 | 0.64 | ADRA2A (0.42) | IDO1NISCHMTORADKALDH1A1 | |
| SCHEMBL5448437 | 0.63 | NISCH (0.46) | IDO1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL548488 | 0.62 | — | — | |
| SCHEMBL1458811 | 0.62 | NISCH (0.58) | PDE4APDE4BPDE4CPDE4DNISCH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003104237-A1 | 2,7,12,17 ALKENYL, ARYL AND HETEROARYL DERIVED FROM 3,6,13,16-TETRAAZAPORPHYCENE, METHOD, INTERMEDIATE COMPOUND AND CORRESPONDING UTILIZATIONS | INSTITUT QUIMIC DE SARRIA CETS (ES) | 2003-12-18 | — | — | WO | disclosed |