Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.61 |
| ▸ | HTR1A | P08908 | 3/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.60 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | GRK3 | P35626 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Xibenolol SCHEMBL79880 | 1.00 | CYP2D6 (0.70) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| Xibenolol SCHEMBL79879 | 1.00 | CYP2D6 (0.70) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| Xibenolol SCHEMBL29387811 | 1.00 | CYP2D6 (0.70) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| Xibenolol SCHEMBL7267198 | 0.99 | CYP2D6 (0.72) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11228623 | 0.88 | CYP2D6 (0.54) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11864322 | 0.87 | CYP2D6 (0.82) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11231031 | 0.85 | CYP2D6 (0.65) | CYP2D6MAPTMEN1KMT2AKDM4E | |
| SCHEMBL11870445 | 0.85 | MAPT (0.78) | CYP2D6MAPTMEN1KMT2AADRB2 | |
| SCHEMBL3956865 | 0.84 | ALOX15 (0.63) | CYP2D6MEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11870616 | 0.83 | MAPT (0.81) | CYP2D6MAPTMEN1KMT2AKDM4E |
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-2005099699-A1 | COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION | SEPRACOR INC. (US) | 2005-10-27 | — | — | WO | disclosed |