Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.43 |
| ▸ | HTR3B | O95264 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 3/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9901448 | 0.88 | HTR3E (0.38) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9902512 | 0.87 | SIGMAR1 (0.42) | SIGMAR1NOS1CYP2C9IDO1 | |
| SCHEMBL9901901 | 0.86 | SIGMAR1 (0.36) | ALDH1A1SIGMAR1NOS1MAPTIDO1 | |
| SCHEMBL9901710 | 0.85 | ALDH1A1 (0.40) | KMT2AALDH1A1HTR3EHTR3BHTR3A | |
| SCHEMBL9901780 | 0.84 | KDM4E (0.34) | KMT2AKDM4EGAA | |
| SCHEMBL9902710 | 0.81 | ADRA2A (0.45) | KMT2AKDM4EGAA | |
| SCHEMBL9901797 | 0.79 | HTR3E (0.41) | KMT2AALDH1A1HTR3EHTR3BHTR3A | |
| SCHEMBL9902748 | 0.78 | GRIN2D (0.42) | SLC22A2SLC22A1SLC22A3PLAUSIGMAR1 | |
| SCHEMBL9901424 | 0.78 | NOS1 (0.41) | SLC22A2SLC22A1SLC22A3PLAUSIGMAR1 | |
| SCHEMBL9905760 | 0.76 | ADRA2A (0.33) | KMT2AKDM4EGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649048-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | Radikal Therapeutics Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077108-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | RADIKAL THERAPEUTICS INC. (US) | 2012-06-14 | — | — | WO | disclosed |