Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 9/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
| ▸ | TMPRSS4 | Q9NRS4 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8289155 | 0.80 | HRH3 (0.50) | TAAR1LOXL2NOS3NOS1NOS2 | |
| SCHEMBL224548 | 0.79 | TAAR1 (0.72) | TAAR1CYP2A6CYP1A2HTR2AKDM4E | |
| SCHEMBL24861699 | 0.78 | LPL (0.46) | TAAR1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL14259884 | 0.78 | CA2 (0.54) | KDM4EALDH1A1BACE1TDP1TSHR | |
| SCHEMBL1079226 | 0.76 | TAAR1 (0.56) | TAAR1CYP2A6CYP1A2HTR2AKDM4E | |
| Iodide SCHEMBL29101247 | 0.76 | TAAR1 (0.68) | TAAR1CYP2A6CYP1A2HTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL3668004 | 0.76 | BLM (0.74) | TAAR1CYP2A6CYP1A2HTR2AKDM4E | |
| Hydrochloric Acid SCHEMBL3168355 | 0.76 | BLM (0.74) | TAAR1CYP2A6CYP1A2HTR2AKDM4E | |
| SCHEMBL14228855 | 0.73 | CYP4A11 (0.47) | KDM4EALDH1A1ADRA2ASLC6A2TDP1 | |
| SCHEMBL4920 | 0.72 | TAAR1 (1.00) | TAAR1CYP2A6CYP1A2HTR2AKDM4E |
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-1641465-B1 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE INC (US) | 2009-11-04 | — | — | EP | disclosed |