Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 9/20 | 0.35 |
| ▸ | MAOB | P27338 | 9/20 | 0.35 |
| ▸ | KDM1A | O60341 | 7/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL25232904 | 0.80 | CHRNB2 (0.54) | CYP2C19CYP1A2CYP2D6CYP2C9LMNA | |
| SCHEMBL2311507 | 0.71 | CHRNA7 (0.33) | SLC6A2ADRA1ASLC6A3HTR2BSLC18A3 | |
| SCHEMBL2656101 | 0.71 | ALDH1A1 (0.38) | SLC6A2SLC6A3CYP2C19CYP1A2HTR2C | |
| Hydrochloric Acid SCHEMBL6830548 | 0.68 | SLC18A3 (0.37) | SLC18A3SIGMAR1MAOAMAOBKDM1A | |
| Iodide SCHEMBL11457678 | 0.68 | SLC18A3 (0.37) | SLC18A3SIGMAR1MAOAMAOBKDM1A | |
| SCHEMBL16226181 | 0.63 | TSHR (0.37) | SLC6A2ADRA1ASLC6A3SLC18A3MAOA | |
| SCHEMBL8222209 | 0.61 | SLC18A3 (0.52) | SLC6A2ADRA1ASLC6A3HTR2BSLC18A3 | |
| SCHEMBL1435756 | 0.61 | SLC18A3 (0.46) | SLC6A2ADRA1ASLC6A3HTR2BSLC18A3 | |
| SCHEMBL6684605 | 0.61 | GBA1 (0.37) | SLC6A2ADRA1ASLC6A3HTR2BSLC18A3 | |
| SCHEMBL9370820 | 0.60 | CHRM2 (0.47) | — |
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-2114899-A2 | CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES | Firmenich S.A. (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008093272-A2 | CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES | FIRMENICH SA (CH) | 2008-08-07 | — | — | WO | disclosed |