Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.47 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10429395 | 0.84 | HTR1A (0.63) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| SCHEMBL13077548 | 0.76 | HTR1A (0.51) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| SCHEMBL9873335 | 0.76 | HTR1A (0.74) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL31572112 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL30872868 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL6511962 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL41408 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL1652319 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL29483932 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 | |
| Penbutolol SCHEMBL49358 | 0.75 | HTR1A (1.00) | ADRA2AHTR1ACYP1A2USP2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4952730-A | Process for inverting the configuration of optically active compounds, and optically active intermediates produced in this process | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |
| EP-0102520-B1 | PROCESS FOR THE INVERSION OF THE CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS, AND OPTICALLY ACTIVE INTERMEDIATES FOR THIS PROCESS | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-10-29 | — | — | EP | disclosed |
| EP-0102520-A1 | Process for the inversion of the configuration of optically active compounds, and optically active intermediates for this process | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-03-14 | — | — | EP | disclosed |