Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10238794 | 1.00 | DRD2 (0.38) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL6845166 | 0.78 | DRD2 (0.37) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL6845212 | 0.78 | DRD2 (0.37) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL21223232 | 0.78 | GRM5 (0.41) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL21223419 | 0.78 | DRD2 (0.37) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL18815407 | 0.78 | DRD2 (0.41) | DRD2NOS3NOS2 | |
| Hydrochloric Acid SCHEMBL1915444 | 0.77 | DRD2 (0.36) | DRD2DRD1PDK2PDK4CCR1 | |
| Hydrochloric Acid SCHEMBL12984429 | 0.77 | DRD2 (0.36) | DRD2DRD1PDK2PDK4CCR1 | |
| SCHEMBL30120808 | 0.74 | NOS3 (0.31) | DRD2DRD1NOS3NOS2 | |
| SCHEMBL12891911 | 0.73 | ALDH1A1 (0.42) | DRD2DRD1CYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011076744-A1 | DISUBSTITUTED HETEROARYL-FUSED PYRIDINES | NOVARTIS AG (CH) | 2011-06-30 | — | — | WO | disclosed |