Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3080389 | 0.84 | NAMPT (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19C3AR1 | |
| SCHEMBL21245369 | 0.79 | HDAC8 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19NAMPT | |
| Hydrochloric Acid SCHEMBL6164621 | 0.77 | CYP3A4 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL3077208 | 0.75 | FNTA (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19C3AR1 | |
| SCHEMBL6482895 | 0.75 | FNTA (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19C3AR1 | |
| SCHEMBL3458409 | 0.74 | ALDH1A1 (0.63) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6271049 | 0.73 | OPRL1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19C3AR1 | |
| SCHEMBL7672874 | 0.72 | CHRNA7 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3458346 | 0.72 | DRD2 (0.54) | ALDH1A1DRD2DRD3 | |
| SCHEMBL83163 | 0.72 | HTR1A (0.63) | NAMPTHTR1AHTR7DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1060163-B1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE CO CHEM PHARM FAB (DE) | 2005-10-12 | — | — | EP | disclosed |