Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.53 |
| ▸ | HTR3B | O95264 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.53 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | ACR | P10323 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL19149163 | 0.79 | NOS3 (0.60) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL20657405 | 0.79 | NOS3 (0.60) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14378455 | 0.78 | NOS3 (0.53) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5546925 | 0.78 | NOS3 (0.53) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5546921 | 0.78 | NOS3 (0.53) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28682536 | 0.76 | PLAU (0.50) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL28674580 | 0.74 | HTR3E (0.44) | NOS3HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5641442 | 0.74 | RAB9A (0.46) | CA1CA2CA7TP53TSHR | |
| SCHEMBL5641440 | 0.74 | RAB9A (0.46) | CA1CA2CA7TP53TSHR | |
| SCHEMBL15807749 | 0.73 | NOS3 (0.52) | NOS3HTR3EHTR3BHTR3AHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| CN-113896668-A | Fluoroalkyl-substituted N-arylimido isothiocyanate derivative and preparation method thereof | 昆明理工大学 | 2022-01-07 | — | — | CN | disclosed |