Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.70 |
| ▸ | HTR3A | P46098 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.56 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | CCKAR | P32238 | 11/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20274184 | 0.85 | AKR1C3 (0.66) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| SCHEMBL14783389 | 0.83 | AKR1C3 (0.51) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| Oxalic Acid SCHEMBL8147179 | 0.83 | CHRNB2 (0.63) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| SCHEMBL31254486 | 0.81 | AKR1C3 (0.61) | AKR1C3HTR3ADHFRCCKAR | |
| SCHEMBL4054998 | 0.81 | AKR1C3 (0.61) | AKR1C3HTR3ADHFRCCKAR | |
| SCHEMBL5800979 | 0.81 | HTR3A (0.58) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| SCHEMBL14784331 | 0.80 | MAPT (0.48) | AKR1C3CCKAR | |
| SCHEMBL28537114 | 0.79 | HTR3A (0.68) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| Trifluoroacetic Acid SCHEMBL4522904 | 0.79 | HTR3A (0.76) | AKR1C3HTR3ADRD3DRD2CHRNB2 | |
| SCHEMBL14783547 | 0.79 | AKR1C3 (0.47) | AKR1C3HTR3ADRD3DRD2CHRNB2 |
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-1828154-A1 | PHENYL-PIPERAZIN METHANONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061135-A1 | PHENYL-PIPERAZIN METHANONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-06-15 | — | — | WO | disclosed |