Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | SCN1A | P35498 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11858353 | 0.96 | CYP3A4 (0.54) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL1709532 | 0.96 | CYP3A4 (0.45) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL20054732 | 0.92 | CYP3A4 (0.50) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL10256656 | 0.90 | CYP3A4 (0.47) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL2833742 | 0.90 | CYP3A4 (0.44) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL29726715 | 0.86 | MAPT (0.42) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL6267359 | 0.84 | NPSR1 (0.38) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL3669479 | 0.83 | NPSR1 (0.39) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL5557492 | 0.82 | CYP3A4 (0.42) | CYP3A4LMNATSHRABCB11CYP1A2 | |
| SCHEMBL28996441 | 0.80 | SMN1; SMN2 (0.45) | CYP3A4LMNATSHRABCB11CYP1A2 |
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-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |