Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7114265 | 0.87 | HRH4 (0.39) | CYP1A2CYP2D6MAPTALDH1A1HRH4 | |
| SCHEMBL7118919 | 0.87 | — | — | |
| SCHEMBL7121348 | 0.85 | HRH4 (0.42) | CYP1A2CYP2D6MAPTALDH1A1HRH4 | |
| SCHEMBL803958 | 0.85 | HRH4 (0.42) | CYP1A2CYP2D6MAPTALDH1A1HRH4 | |
| SCHEMBL9949828 | 0.85 | HRH4 (0.42) | CYP1A2CYP2D6MAPTALDH1A1HRH4 | |
| SCHEMBL7114292 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4341705 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4346253 | 0.83 | HRH4 (0.41) | CYP1A2CYP2D6MAPTALDH1A1HRH4 | |
| SCHEMBL24870164 | 0.79 | ADH1A (0.41) | CYP1A2ALDH1A1HRH4HRH3KDM4E | |
| SCHEMBL14984919 | 0.78 | MAPT (0.36) | CYP2D6MAPTHTR2AKDM4E |
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-2011141180-A1 | NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES | ALMIRALL, S.A. (ES) | 2011-11-17 | — | — | WO | disclosed |