Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11762174 | 0.99 | MAPT (0.52) | CASRMAPTACHEADRB2ADRB1 | |
| SCHEMBL11762781 | 0.95 | CASR (0.52) | CASRMAPTACHEADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL11870429 | 0.94 | MAPT (0.52) | CASRMAPTACHEADRB2ADRB1 | |
| SCHEMBL11863348 | 0.82 | HTT (0.60) | MAPTACHEADRB2ADRB1CYP2D6 | |
| SCHEMBL11873816 | 0.80 | MAPT (0.52) | MAPTACHEADRB2ADRB1CYP2D6 | |
| SCHEMBL11762028 | 0.79 | CYP2D6 (0.68) | CASRADRB2ADRB1CYP2D6 | |
| SCHEMBL11231233 | 0.79 | CYP2D6 (0.59) | MAPTACHEADRB2ADRB1CYP2D6 | |
| Hydrochloric Acid SCHEMBL11763550 | 0.78 | HTR1A (0.58) | CASRMAPTACHEADRB2ADRB1 | |
| SCHEMBL8676380 | 0.78 | MEN1 (0.53) | CASRMAPTADRB2ADRB1KCNH2 | |
| Hydrochloric Acid SCHEMBL11229665 | 0.78 | CYP2D6 (0.62) | MAPTACHEADRB2ADRB1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4039685-A | 1-PHENOXY-2-HYDROXY-3-TERT.-BUTYLAMINO PROPANE ANTIARRHYTHMIC COMPOUNDS | BOEHRINGER INGELHEIM GMBH (DT) | 1977-08-02 | — | — | US | disclosed |