Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NOS1 | P29475 | 3/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL220774 | 0.83 | NOS1 (0.60) | MAOBS1PR1NOS3NOS1S1PR3 | |
| SCHEMBL221746 | 0.80 | NOS3 (0.60) | S1PR1NOS3NOS1S1PR3ALDH1A1 | |
| SCHEMBL221745 | 0.76 | FPR2 (0.39) | MAOBS1PR1NOS3NOS1FPR2 | |
| SCHEMBL221219 | 0.72 | NOS1 (0.71) | NOS3NOS1KDM4EALDH1A1NPC1 | |
| SCHEMBL220877 | 0.69 | NOS3 (0.61) | NOS3NOS1NOS2 | |
| SCHEMBL221744 | 0.69 | FPR2 (0.38) | MAOBPDE4DS1PR1NOS3NOS1 | |
| SCHEMBL219485 | 0.68 | NOS3 (0.64) | NOS3NOS1CTSSNOS2 | |
| SCHEMBL8082378 | 0.68 | NOS1 (0.57) | NOS3NOS1NOS2 | |
| SCHEMBL1965584 | 0.66 | PDE4A (0.65) | PDE4APDE4BPDE4CPDE4DS1PR1 | |
| SCHEMBL1778039 | 0.66 | HSD17B10 (0.65) | S1PR1S1PR3KDM4EHSD17B10ALDH1A1 |
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-2008073451-A2 | BENZOIMIDAZOLE DERIVATIVES AS SIRTUIN (SIR) MODULATING COMPOUNDS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |