Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14793355 | 0.86 | NOS3 (0.39) | NOS3NOS1NOS2CYP1A2CA12 | |
| SCHEMBL18896261 | 0.81 | ALDH1A1 (0.52) | NOS3NOS1NOS2CYP1A2CA12 | |
| SCHEMBL13073022 | 0.79 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL25748026 | 0.79 | TP53 (0.30) | — | |
| SCHEMBL11957888 | 0.77 | ALDH1A1 (0.58) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL16918931 | 0.77 | HTR3E (0.32) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL16338082 | 0.76 | SMN1; SMN2 (0.41) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL16338590 | 0.76 | SMN1; SMN2 (0.41) | NOS3NOS1NOS2CYP1A2CYP2E1 | |
| SCHEMBL25132526 | 0.75 | TYR (0.32) | — | |
| SCHEMBL18732234 | 0.75 | NPC1 (0.30) | — |
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-2920153-B1 | 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFOXIMINE GROUP | Bayer Pharma AG (DE) | 2017-02-01 | — | — | EP | disclosed |