Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 4/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9052228 | 0.84 | DRD2 (0.47) | DRD2DRD4DRD3DRD1HTR1A | |
| SCHEMBL7405539 | 0.82 | ALDH1A1 (0.53) | DRD2DRD4DRD3DRD1HTR1A | |
| SCHEMBL7401374 | 0.81 | DRD2 (0.48) | DRD2DRD4DRD3DRD1HTR1A | |
| Hydrochloric Acid SCHEMBL8185523 | 0.81 | ALDH1A1 (0.52) | DRD2DRD4DRD3DRD1HTR1A | |
| SCHEMBL27524409 | 0.79 | DRD2 (0.69) | DRD2DRD4DRD3DRD1HTR1A | |
| SCHEMBL7403486 | 0.79 | DRD2 (0.50) | DRD2DRD4DRD3DRD1HTR1A | |
| SCHEMBL7404378 | 0.79 | MAPT (0.52) | DRD2DRD4HTR1AHTR2AADRA1A | |
| SCHEMBL7397854 | 0.79 | DRD4 (0.68) | DRD2DRD4HTR1AHTR2AADRA1A | |
| Hydrochloric Acid SCHEMBL7401818 | 0.78 | MAPT (0.51) | DRD2DRD4HTR1AHTR2AADRA1A | |
| Hydrochloric Acid SCHEMBL8185604 | 0.78 | DRD4 (0.67) | DRD2DRD4HTR1AHTR2AHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| US-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |