Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 4/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.47 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20804350 | 0.82 | COMT (0.53) | COMTDRD4DRD2DRD3TNKS | |
| SCHEMBL28024574 | 0.82 | COMT (0.53) | COMTDRD4DRD2DRD3TNKS | |
| SCHEMBL8172177 | 0.79 | ALDH1A1 (0.77) | COMTDRD4DRD2DRD3HTR7 | |
| SCHEMBL8169385 | 0.78 | FAAH (0.54) | COMTDRD4DRD2DRD3ADRA1A | |
| SCHEMBL8169796 | 0.78 | HTR7 (0.71) | DRD4DRD2DRD3HTR7KDM4E | |
| SCHEMBL2328515 | 0.77 | DRD4 (0.59) | DRD4DRD2DRD3HTR7 | |
| SCHEMBL11106747 | 0.77 | DRD2 (0.43) | DRD4DRD2DRD3HTR7HTR1A | |
| SCHEMBL8311608 | 0.76 | MAPT (0.62) | DRD4DRD2DRD3HTR7ALDH1A1 | |
| SCHEMBL20237949 | 0.76 | CYP19A1 (0.50) | COMTTNKSPARP1TNKS2KDM4E | |
| SCHEMBL2229998 | 0.76 | ALDH1A1 (0.53) | COMTTNKSPARP1TNKS2KDM4E |
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-5998414-A | PSYCHOLOGICAL DISORDERS | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0929537-A1 | TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998007711-A1 | TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS | HOECHST MARION ROUSSEL, INC. (US) | 1998-02-26 | — | — | WO | disclosed |