Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9090094 | 0.74 | ADORA1 (0.40) | ADORA3ADORA2AADORA1KDM4ENOS3 | |
| SCHEMBL9851422 | 0.74 | MARS2 (0.41) | ADORA3ADORA2AADORA1KDM4ENOS3 | |
| SCHEMBL9851491 | 0.72 | PRMT5 (0.42) | ADORA3ADORA2AADORA1KDM4ENOS3 | |
| SCHEMBL9851421 | 0.72 | NOS1 (0.60) | ADORA3ADORA2AADORA1KDM4EPDE5A | |
| SCHEMBL3960231 | 0.68 | CYP2C9 (0.57) | PDE5ANOS1NOS2CYP2C9NPC1 | |
| SCHEMBL7071670 | 0.68 | PDK2 (0.44) | ADORA3ADORA2AADORA1KDM4ENOS3 | |
| SCHEMBL9704776 | 0.66 | PI4KA (0.46) | KDM4ENOS3NOS1NOS2KMT2A | |
| SCHEMBL10439327 | 0.66 | PARP1 (0.40) | NOS3NOS1NOS2KMT2A | |
| SCHEMBL9703975 | 0.66 | PARP1 (0.40) | NOS3NOS1NOS2KMT2A | |
| SCHEMBL9088551 | 0.65 | HTR1F (0.43) | ADORA3ADORA2AADORA1CYP1A2CYP3A4 |
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-0434038-A1 | Fused imidazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-26 | — | — | EP | disclosed |