Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8305139 | 0.93 | CDK9 (0.36) | DRD2SMN1; SMN2CYP1A2CYP2D6CCNT1 | |
| SCHEMBL8304879 | 0.89 | KDM4E (0.42) | DRD3DRD2SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL8300507 | 0.85 | KDM4E (0.43) | SMN1; SMN2CYP1A2CYP2D6TRPV6KDM4E | |
| SCHEMBL8305658 | 0.83 | CCNT1 (0.38) | CCNT1CDK9HTR2A | |
| SCHEMBL8300030 | 0.81 | KDM4E (0.45) | DRD2CYP2D6CCNT1CDK9TRPV6 | |
| SCHEMBL8298648 | 0.80 | CDK9 (0.36) | CCNT1CDK9TRPV6KDM4EMEN1 | |
| SCHEMBL8318264 | 0.77 | DRD2 (0.47) | DRD3DRD2TRPV6 | |
| SCHEMBL8300003 | 0.77 | CCR3 (0.39) | CYP2D6CCR3 | |
| SCHEMBL8300686 | 0.75 | NAMPT (0.43) | CYP2D6CCNT1CDK9TRPV6KDM4E | |
| SCHEMBL8300679 | 0.73 | CCR3 (0.39) | CYP2D6CCR3 |
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-0808306-B1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 1999-08-04 | — | — | EP | disclosed |